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Benzene, 1-[4,4-dimethyl-1-[(4-methylphenyl)sulfonyl]-2-pentenyl]-4-nitro-, (E)-
SpectraBase Compound ID GvnDUHpwkav
InChI InChI=1S/C20H23NO4S/c1-15-5-11-18(12-6-15)26(24,25)19(13-14-20(2,3)4)16-7-9-17(10-8-16)21(22)23/h5-14,19H,1-4H3/b14-13+
InChIKey KCYQMOSDANLOGE-BUHFOSPRSA-N
Mol Weight 373.47 g/mol
Molecular Formula C20H23NO4S
Exact Mass 373.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kkBQtq2AVB
Name Benzene, 1-[4,4-dimethyl-1-[(4-methylphenyl)sulfonyl]-2-pentenyl]-4-nitro-, (E)-
Alternate Name(s) (2E)-4,4-dimethyl-1-(4-nitrophenyl)-2-pentenyl 4-methylphenyl sulfone (E)-4,4-Dimethyl-1-p-nitrophenylpent-2-enyl p-tolyl sulfone 1-{[(2E)-4,4-dimethyl-1-(4-nitrophenyl)-2-pentenyl]sulfonyl}-4-methylbenzene
CAS Registry Number 86984-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO4S
InChI InChI=1S/C20H23NO4S/c1-15-5-11-18(12-6-15)26(24,25)19(13-14-20(2,3)4)16-7-9-17(10-8-16)21(22)23/h5-14,19H,1-4H3/b14-13+
InChIKey KCYQMOSDANLOGE-BUHFOSPRSA-N
Molecular Weight 373.467 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(\C=C\C(C)(C)C)c1ccc(N(=O)=O)cc1
SPLASH splash10-05mo-9420000000-46956538f94fd25e73f3
Source of Spectrum B-36-544-0
Wiley ID 1356075