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1-Allyl-5-methyl-3-phenyl-2-(phenylthio)pyrrole
SpectraBase Compound ID LJYUBzVc7md
InChI InChI=1S/C20H19NS/c1-3-14-21-16(2)15-19(17-10-6-4-7-11-17)20(21)22-18-12-8-5-9-13-18/h3-13,15H,1,14H2,2H3
InChIKey HMXSYUUSMKMMHZ-UHFFFAOYSA-N
Mol Weight 305.44 g/mol
Molecular Formula C20H19NS
Exact Mass 305.123821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39dk2D9l1aA
Name 1-Allyl-5-methyl-3-phenyl-2-(phenylthio)pyrrole
Alternate Name(s) 1-Allyl-5-methyl-3-phenyl-2-(phenylthio)-1H-pyrrole 5-Methyl-3-phenyl-2-(phenylthio)-1-prop-2-enylpyrrole 5-Methyl-3-phenyl-2-phenylsulfanyl-1-prop-2-enylpyrrole 1-Allyl-5-methyl-3-phenyl-2-phenylsulfanyl-pyrrole 5-Methyl-3-phenyl-2-phenylsulfanyl-1-prop-2-enyl-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NS
InChI InChI=1S/C20H19NS/c1-3-14-21-16(2)15-19(17-10-6-4-7-11-17)20(21)22-18-12-8-5-9-13-18/h3-13,15H,1,14H2,2H3
InChIKey HMXSYUUSMKMMHZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol070205d
Molecular Weight 305.439 g/mol
SMILES c1ccc(-c2cc(C)[n](c2Sc2ccccc2)CC=C)cc1
SPLASH splash10-0a4i-0229000000-367ea850965af484901a
Source of Spectrum A1-9-1445/SMS5-7j
Wiley ID 1758035