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1-Benzylthio-1-nitromethylcyclopentane
SpectraBase Compound ID C4SWrr2ytGn
InChI InChI=1S/C13H17NO2S/c15-14(16)11-13(8-4-5-9-13)17-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKey AWNNGICAWUTYNX-UHFFFAOYSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74tkNiQMNLx
Name 1-Benzylthio-1-nitromethylcyclopentane
Alternate Name(s) ({[1-(Nitromethyl)cyclopentyl]sulfanyl}methyl)benzene benzyl 1-(nitromethyl)cyclopentyl sulfide
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Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c15-14(16)11-13(8-4-5-9-13)17-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKey AWNNGICAWUTYNX-UHFFFAOYSA-N
Molecular Weight 251.344 g/mol
SMILES C(N(=O)=O)C1(SCc2ccccc2)CCCC1
SPLASH splash10-0fdo-8790000000-58409097f89b81f60030
Source of Spectrum J-66-1988-8
Wiley ID 1534773