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1,1-Dideuteroneopentyl para-nitrobenzenesulphonate
SpectraBase Compound ID 8vllyZb60Ln
InChI InChI=1S/C11H15NO5S/c1-11(2,3)8-17-18(15,16)10-6-4-9(5-7-10)12(13)14/h4-7H,8H2,1-3H3/i8D2
InChIKey PAIGEEPTQLAZGY-MGVXTIMCSA-N
Mol Weight 275.32 g/mol
Molecular Formula C11H132D2NO5S
Exact Mass 275.079647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xvPSONf1gb
Name 1,1-Dideuteroneopentyl para-nitrobenzenesulphonate
Alternate Name(s) 1-Propanol, 2,2-dimethyl-, p-nitrobenzenesulfonate Benzenesulfonic acid, 4-nitro-, 2,2-dimethylpropyl ester Benzenesulfonic acid, p-nitro-, neopentyl ester Neopentyl nosylate Neopentyl p-nitrobenzenesulfonate Neopentyl para-nitrobenzenesulphonate
CAS Registry Number 13372-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13D2NO5S
InChI InChI=1S/C11H15NO5S/c1-11(2,3)8-17-18(15,16)10-6-4-9(5-7-10)12(13)14/h4-7H,8H2,1-3H3/i8D2
InChIKey PAIGEEPTQLAZGY-MGVXTIMCSA-N
Molecular Weight 275.315 g/mol
SMILES c1(S(OC(C(C)(C)C)([2D])[2D])(=O)=O)ccc(N(=O)=O)cc1
SPLASH splash10-0a4i-9000000000-33bccc015078754f0002
Source of Spectrum O-20-749-9
Wiley ID 1276992