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1-Nitro-2-(p-tolylsulfanyl)benzene
SpectraBase Compound ID 69M6z3wahfj
InChI InChI=1S/C13H11NO2S/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3
InChIKey UBBFBJSKBNASAJ-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 6LMDkW4aZW2
Name 1-Nitro-2-(p-tolylsulfanyl)benzene
Alternate Name(s) 1-Nitro-2-(p-tolylthio)benzene 1-[(4-methylphenyl)thio]-2-nitrobenzene 1-(4-Methylphenyl)sulfanyl-2-nitrobenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2S
InChI InChI=1S/C13H11NO2S/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3
InChIKey UBBFBJSKBNASAJ-UHFFFAOYSA-N
Molecular Weight 245.296 g/mol
SMILES c1(Sc2c(cccc2)N(=O)=O)ccc(cc1)C
SPLASH splash10-001i-0910000000-49cd6e3faddd73396216
Source of Spectrum KC-0-1644-0
Wiley ID 821747