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1H-Pyrrole, 2-[2,2-dimethyl-1-[(4-methylphenyl)thio]propyl]-1-methyl-4-nitro-
SpectraBase Compound ID AWCst2EFeO8
InChI InChI=1S/C17H22N2O2S/c1-12-6-8-14(9-7-12)22-16(17(2,3)4)15-10-13(19(20)21)11-18(15)5/h6-11,16H,1-5H3
InChIKey KQXUWRYULQAOSI-UHFFFAOYSA-N
Mol Weight 318.44 g/mol
Molecular Formula C17H22N2O2S
Exact Mass 318.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBYog0GOsjf
Name 1H-Pyrrole, 2-[2,2-dimethyl-1-[(4-methylphenyl)thio]propyl]-1-methyl-4-nitro-
CAS Registry Number 115975-71-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O2S
InChI InChI=1S/C17H22N2O2S/c1-12-6-8-14(9-7-12)22-16(17(2,3)4)15-10-13(19(20)21)11-18(15)5/h6-11,16H,1-5H3
InChIKey KQXUWRYULQAOSI-UHFFFAOYSA-N
Molecular Weight 318.435 g/mol
SMILES c1(cc(C(Sc2ccc(cc2)C)C(C)(C)C)[n](c1)C)N(=O)=O
SPLASH splash10-0002-3900000000-0f04a7bd0134d0b29484
Source of Spectrum B-40-2082-6
Synonyms 2,2-Dimethyl-1-(1'-methyl-4'-nitro-1'h-pyrrol-2'-yl)propyl p-tolyl sulfide 2,2-Dimethyl-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)propyl 4-methylphenyl sulfide 2-{2,2-dimethyl-1-[(4-methylphenyl)sulfanyl]propyl}-1-methyl-4-nitro-1H-pyrrole
Wiley ID 1318421