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3-Methyl-4-pentyl-1Hisothiochromen-1-one
SpectraBase Compound ID 8mnBCVzr9VN
InChI InChI=1S/C15H18OS/c1-3-4-5-8-12-11(2)17-15(16)14-10-7-6-9-13(12)14/h6-7,9-10H,3-5,8H2,1-2H3
InChIKey NIYLLJZFXNVMBC-UHFFFAOYSA-N
Mol Weight 246.37 g/mol
Molecular Formula C15H18OS
Exact Mass 246.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIhnW0iKQog
Name 3-Methyl-4-pentyl-1Hisothiochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18OS
InChI InChI=1S/C15H18OS/c1-3-4-5-8-12-11(2)17-15(16)14-10-7-6-9-13(12)14/h6-7,9-10H,3-5,8H2,1-2H3
InChIKey NIYLLJZFXNVMBC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200336c
Molecular Weight 246.368 g/mol
SMILES c1ccc2C(=C(SC(c2c1)=O)C)CCCCC
SPLASH splash10-03di-0930000000-52094bbad8f0f1c2ef47
Source of Spectrum A1-13-1912/SMS4-3c
Synonyms 3-Methyl-4-pentyl-1H-isothiochromen-1-one
Wiley ID 1752994