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2-Butyl-3-phenylthiopyrrole
SpectraBase Compound ID 6ltSHJpBP5m
InChI InChI=1S/C14H17NS/c1-2-3-9-13-14(10-11-15-13)16-12-7-5-4-6-8-12/h4-8,10-11,15H,2-3,9H2,1H3
InChIKey JEFUCDLPJLEGIR-UHFFFAOYSA-N
Mol Weight 231.36 g/mol
Molecular Formula C14H17NS
Exact Mass 231.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9askcISR4sI
Name 2-Butyl-3-phenylthiopyrrole
Alternate Name(s) 2-butyl-1H-pyrrol-3-yl phenyl sulfide 2-butyl-3-(phenylsulfanyl)-1H-pyrrole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NS
InChI InChI=1S/C14H17NS/c1-2-3-9-13-14(10-11-15-13)16-12-7-5-4-6-8-12/h4-8,10-11,15H,2-3,9H2,1H3
InChIKey JEFUCDLPJLEGIR-UHFFFAOYSA-N
Molecular Weight 231.357 g/mol
SMILES [nH]1ccc(c1CCCC)Sc1ccccc1
SPLASH splash10-0019-0890000000-182982ed8861e0b52b7b
Source of Spectrum QA-41-808-7
Wiley ID 861886