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Benzene, 1-[2,2-dimethyl-1-[(4-methylphenyl)sulfonyl]propyl]-4-nitro-
SpectraBase Compound ID Ffbp8cuoEaq
InChI InChI=1S/C18H21NO4S/c1-13-5-11-16(12-6-13)24(22,23)17(18(2,3)4)14-7-9-15(10-8-14)19(20)21/h5-12,17H,1-4H3
InChIKey KKAJMEWPCSRAKQ-UHFFFAOYSA-N
Mol Weight 347.43 g/mol
Molecular Formula C18H21NO4S
Exact Mass 347.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTUXfExWFcn
Name Benzene, 1-[2,2-dimethyl-1-[(4-methylphenyl)sulfonyl]propyl]-4-nitro-
Alternate Name(s) 1-{[2,2-dimethyl-1-(4-nitrophenyl)propyl]sulfonyl}-4-methylbenzene 2,2-Dimethyl-1-(4-nitrophenyl)propyl 4-methylphenyl sulfone 2,2-Dimethyl-1-(p-nitrophenyl)propyl p-tolyl sulfone
CAS Registry Number 72511-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4S
InChI InChI=1S/C18H21NO4S/c1-13-5-11-16(12-6-13)24(22,23)17(18(2,3)4)14-7-9-15(10-8-14)19(20)21/h5-12,17H,1-4H3
InChIKey KKAJMEWPCSRAKQ-UHFFFAOYSA-N
Molecular Weight 347.429 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(C)(C)C)c1ccc(N(=O)=O)cc1
SPLASH splash10-0f6x-1900000000-e9670b5d8eba2f693f6e
Source of Spectrum B-32-1509-0
Wiley ID 1339976