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2,2-Dimethylpropyl 4-nitrobenzenesulfonate
SpectraBase Compound ID 2ij87rEeU0k
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
InChIKey PAIGEEPTQLAZGY-UHFFFAOYSA-N
Mol Weight 273.3 g/mol
Molecular Formula C11H15NO5S
Exact Mass 273.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9m2QuOhVMfQ
Name 2,2-Dimethylpropyl 4-nitrobenzenesulfonate
Alternate Name(s) 4-Nitrobenzenesulfonic acid 2,2-dimethylpropyl ester 4-Nitrobenzenesulfonic acid neopentyl ester
CAS Registry Number 13372-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO5S
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
InChIKey PAIGEEPTQLAZGY-UHFFFAOYSA-N
Molecular Weight 273.303 g/mol
SMILES c1(S(OCC(C)(C)C)(=O)=O)ccc(N(=O)=O)cc1
SPLASH splash10-0a4i-9000000000-da75879bedb38bb4fa97
Source of Spectrum O-20-749-10
Wiley ID 1276991