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Thiophene, 2-[1-methyl-1-(phenylthio)ethyl]-5-nitro-
SpectraBase Compound ID 3bhlT48nuRe
InChI InChI=1S/C13H13NO2S2/c1-13(2,18-10-6-4-3-5-7-10)11-8-9-12(17-11)14(15)16/h3-9H,1-2H3
InChIKey KVRGCRKITJWCGP-UHFFFAOYSA-N
Mol Weight 279.37 g/mol
Molecular Formula C13H13NO2S2
Exact Mass 279.038771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gj5r0JA8ceQ
Name Thiophene, 2-[1-methyl-1-(phenylthio)ethyl]-5-nitro-
Alternate Name(s) 1-Methyl-1-(5-nitro-2-thienyl)ethyl phenyl sulfide 2-[1-methyl-1-(phenylsulfanyl)ethyl]-5-nitrothiophene
CAS Registry Number 69240-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2S2
InChI InChI=1S/C13H13NO2S2/c1-13(2,18-10-6-4-3-5-7-10)11-8-9-12(17-11)14(15)16/h3-9H,1-2H3
InChIKey KVRGCRKITJWCGP-UHFFFAOYSA-N
Molecular Weight 279.372 g/mol
SMILES c1(N(=O)=O)sc(C(Sc2ccccc2)(C)C)cc1
SPLASH splash10-00di-4900000000-be28c7dc22645b747c69
Source of Spectrum B-31-2476-0
Wiley ID 1282783