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Benzyl(4-nitrophenyl)sulfane
SpectraBase Compound ID 3APE3cH20ek
InChI InChI=1S/C13H11NO2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey OIWYQDTUUYUAOX-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C13H11NO2S
Exact Mass 245.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQRmh99COhv
Name Benzyl(4-nitrophenyl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2S
InChI InChI=1S/C13H11NO2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey OIWYQDTUUYUAOX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201200723
Molecular Weight 245.296 g/mol
SMILES c1c(CSc2ccc(cc2)[N+]([O-])=O)cccc1
SPLASH splash10-0006-9000000000-b4d7dd0e6cc7e229e729
Source of Spectrum CJC-30-2557-8
Synonyms 1-Nitro-4-(phenylmethylthio)benzene 1-Benzylsulfanyl-4-nitrobenzene 1-Benzylsulfanyl-4-nitro-benzene 1-Nitro-4-(phenylmethylsulfanyl)benzene
Wiley ID 1772654