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    Junior Rt
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    This document presents additivity rules for predicting the chemical shift of protons based on nearby functional groups. The chemical shift (δ) in parts per million is calculated as 0.233 plus the sum of individual sigma values associated with different functional groups. Sigma values ranging from 0.47 to 3.23 ppm are provided for various common functional groups that influence proton chemical shift, such as halogens, alcohols, ethers, sulfides, amines, alkyl groups, and some others.

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    Tabel shoolery

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    shoolery

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    This document presents additivity rules for predicting the chemical shift of protons based on nearby functional groups. The chemical shift (δ) in parts per million is calculated as 0.233 plus the sum of individual sigma values associated with different functional groups. Sigma values ranging from 0.47 to 3.23 ppm are provided for various common functional groups that influence proton chemical shift, such as halogens, alcohols, ethers, sulfides, amines, alkyl groups, and some others.

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    © All Rights Reserved
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    18 views1 page

    Shoolery

    Uploaded by

    Junior Rt
    This document presents additivity rules for predicting the chemical shift of protons based on nearby functional groups. The chemical shift (δ) in parts per million is calculated as 0.233 plus the sum of individual sigma values associated with different functional groups. Sigma values ranging from 0.47 to 3.23 ppm are provided for various common functional groups that influence proton chemical shift, such as halogens, alcohols, ethers, sulfides, amines, alkyl groups, and some others.

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    © All Rights Reserved
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    Shoolery’s Additivity Rules for Predicting the Chemical Shift of Protons of the

    Type: Y
    X C H - or - X C H

    δ (ppm) = 0.233 + Σ σ i

    Functional Group (X,Y) σi (ppm)

    -Cl 2.53
    -Br 2.33
    -I 1.82
    -OH 2.56
    -OR 2.36
    -OAr 3.23
    O
    3.13
    O R

    -SR 1.64
    -NR 2 1.57
    -CH3 0.47
    R
    1.32
    R R

    1.85

    R 1.44

    O
    1.70
    R
    O
    1.55
    OR
    O
    1.59
    NR2

    -CF3 1.14
    -CN 1.70

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