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Methyl (E)-2-Benzyl-3-(4-nitrophenyl)propanedithioate
SpectraBase Compound ID CE2QMQOTzRv
InChI InChI=1S/C17H15NO2S2/c1-22-17(21)15(11-13-5-3-2-4-6-13)12-14-7-9-16(10-8-14)18(19)20/h2-10,12H,11H2,1H3/b15-12+
InChIKey TXOWYNDDYMXNJN-NTCAYCPXSA-N
Mol Weight 329.43 g/mol
Molecular Formula C17H15NO2S2
Exact Mass 329.054421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kCmbBzUWu6
Name Methyl (E)-2-Benzyl-3-(4-nitrophenyl)propanedithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO2S2
InChI InChI=1S/C17H15NO2S2/c1-22-17(21)15(11-13-5-3-2-4-6-13)12-14-7-9-16(10-8-14)18(19)20/h2-10,12H,11H2,1H3/b15-12+
InChIKey TXOWYNDDYMXNJN-NTCAYCPXSA-N
Molecular Weight 329.432 g/mol
SMILES c1(N(=O)=O)ccc(\C=C\(C(=S)SC)Cc2ccccc2)cc1
SPLASH splash10-002f-6049000000-89089f25317cf67e1d2a
Source of Spectrum AJ-72-817-8
Synonyms Methyl (E)-2-Benzyl-3-(4-nitrophenyl)propan-2-enedithioate
Wiley ID 774983