For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Methyl-3-penthyl-1H-isothiochromen-1-one
SpectraBase Compound ID 5NXHfaYqd7e
InChI InChI=1S/C15H18OS/c1-3-4-5-10-14-11(2)12-8-6-7-9-13(12)15(16)17-14/h6-9H,3-5,10H2,1-2H3
InChIKey JIKPMVSHGHQPFQ-UHFFFAOYSA-N
Mol Weight 246.37 g/mol
Molecular Formula C15H18OS
Exact Mass 246.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3UP3yHZsK1i
Name 4-Methyl-3-penthyl-1H-isothiochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18OS
InChI InChI=1S/C15H18OS/c1-3-4-5-10-14-11(2)12-8-6-7-9-13(12)15(16)17-14/h6-9H,3-5,10H2,1-2H3
InChIKey JIKPMVSHGHQPFQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200336c
Molecular Weight 246.368 g/mol
SMILES c1ccc2C(=C(SC(c2c1)=O)CCCCC)C
SPLASH splash10-01ot-0970000000-c68d3368123d74b5b153
Source of Spectrum A1-13-1912/SMS4-3c'
Synonyms 4-Methyl-3-pentyl-1H-isothiochromen-1-one
Wiley ID 1752993