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3,5-Dimethyl-1-phenyl-2-(phenylthio)pyrrole
SpectraBase Compound ID 3RDxnTZOfm2
InChI InChI=1S/C18H17NS/c1-14-13-15(2)19(16-9-5-3-6-10-16)18(14)20-17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKey QVLDVYFYYNVTPH-UHFFFAOYSA-N
Mol Weight 279.4 g/mol
Molecular Formula C18H17NS
Exact Mass 279.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73Ww6bs6hza
Name 3,5-Dimethyl-1-phenyl-2-(phenylthio)pyrrole
Alternate Name(s) 3,5-Dimethyl-1-phenyl-2-(phenylthio)-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NS
InChI InChI=1S/C18H17NS/c1-14-13-15(2)19(16-9-5-3-6-10-16)18(14)20-17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKey QVLDVYFYYNVTPH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol070205d
Molecular Weight 279.401 g/mol
SMILES Cc1cc(C)[n](-c2ccccc2)c1Sc1ccccc1
SPLASH splash10-004i-2090000000-12f62c12294409432faf
Source of Spectrum A1-9-1445/SMS7-2j
Wiley ID 1758027