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Benzenesulfonic acid, 4-amino-, 2,2-dimethylpropyl-1,1-D2 ester
SpectraBase Compound ID C2Yxr92dM4E
InChI InChI=1S/C11H17NO3S/c1-11(2,3)8-15-16(13,14)10-6-4-9(12)5-7-10/h4-7H,8,12H2,1-3H3/i8D2
InChIKey QQEZFUZUHKSUOE-MGVXTIMCSA-N
Mol Weight 245.33 g/mol
Molecular Formula C11H152D2NO3S
Exact Mass 245.105468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWVDg22Lk7i
Name Benzenesulfonic acid, 4-amino-, 2,2-dimethylpropyl-1,1-D2 ester
Alternate Name(s) 1,1-Dideuteroneopentyl para-aminobenzenesulphonate
CAS Registry Number 104110-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15D2NO3S
InChI InChI=1S/C11H17NO3S/c1-11(2,3)8-15-16(13,14)10-6-4-9(12)5-7-10/h4-7H,8,12H2,1-3H3/i8D2
InChIKey QQEZFUZUHKSUOE-MGVXTIMCSA-N
Molecular Weight 245.333 g/mol
SMILES Nc1ccc(S(OC(C(C)(C)C)([2D])[2D])(=O)=O)cc1
SPLASH splash10-05fr-1900000000-2e84e5c5edb12f1a633f
Source of Spectrum O-20-749-1
Wiley ID 1245901