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1H-Pyrrole, 1-methyl-2-[1-[(4-methylphenyl)thio]ethyl]-5-nitro-
SpectraBase Compound ID JGlLAmdmc8Q
InChI InChI=1S/C14H16N2O2S/c1-10-4-6-12(7-5-10)19-11(2)13-8-9-14(15(13)3)16(17)18/h4-9,11H,1-3H3
InChIKey GJFZUVMVTRKQQC-UHFFFAOYSA-N
Mol Weight 276.35 g/mol
Molecular Formula C14H16N2O2S
Exact Mass 276.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fIk7YXtzC7
Name 1H-Pyrrole, 1-methyl-2-[1-[(4-methylphenyl)thio]ethyl]-5-nitro-
Alternate Name(s) 1-(1'-Methyl-5'-nitropyrrol-2'-yl)ethyl p-tolyl sulfide 1-(1-Methyl-5-nitro-1H-pyrrol-2-yl)ethyl 4-methylphenyl sulfide 1-Methyl-2-{1-[(4-methylphenyl)sulfanyl]ethyl}-5-nitro-1H-pyrrole
CAS Registry Number 115975-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2S
InChI InChI=1S/C14H16N2O2S/c1-10-4-6-12(7-5-10)19-11(2)13-8-9-14(15(13)3)16(17)18/h4-9,11H,1-3H3
InChIKey GJFZUVMVTRKQQC-UHFFFAOYSA-N
Molecular Weight 276.354 g/mol
SMILES c1([n](c(C(Sc2ccc(cc2)C)C)cc1)C)N(=O)=O
SPLASH splash10-0udi-4910000000-8f6ecb37a8c832d05ee8
Source of Spectrum B-40-2080-3
Wiley ID 1279884