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1-[(4'-Phenylbutyl)thio]-1-(methylthio)-2-nitroethene
SpectraBase Compound ID LChWEmMYEzd
InChI InChI=1S/C13H17NO2S2/c1-17-13(11-14(15)16)18-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b13-11+
InChIKey XPXLSULHWAUWDD-ACCUITESSA-N
Mol Weight 283.4 g/mol
Molecular Formula C13H17NO2S2
Exact Mass 283.070071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqhkRqhb1o
Name 1-[(4'-Phenylbutyl)thio]-1-(methylthio)-2-nitroethene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2S2
InChI InChI=1S/C13H17NO2S2/c1-17-13(11-14(15)16)18-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b13-11+
InChIKey XPXLSULHWAUWDD-ACCUITESSA-N
Molecular Weight 283.404 g/mol
SMILES CS\C(=C/N(=O)=O)SCCCCc1ccccc1
SPLASH splash10-0f7x-6930000000-6e62b92fd2162cd9f4c0
Source of Spectrum K1-2001-1528-5
Synonyms (4-{[(E)-1-(methylsulfanyl)-2-nitroethenyl]sulfanyl}butyl)benzene
Wiley ID 814483