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2-Methyl-3-pentyl-4H-thiochromen-4-one

View entire compound with spectra: 1 MS (GC)

2-Methyl-3-pentyl-4H-thiochromen-4-one
SpectraBase Compound ID IrTb5veyh0D
InChI InChI=1S/C15H18OS/c1-3-4-5-8-12-11(2)17-14-10-7-6-9-13(14)15(12)16/h6-7,9-10H,3-5,8H2,1-2H3
InChIKey SJBPGYQHISBWGA-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 A3DItSmlhkS
Name 2-Methyl-3-pentyl-4H-thiochromen-4-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)17-14-10-7-6-9-13(14)15(12)16/h6-7,9-10H,3-5,8H2,1-2H3
InChIKey SJBPGYQHISBWGA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200336c
Molecular Weight 246.368 g/mol
SMILES c1ccc2SC(=C(C(c2c1)=O)CCCCC)C
SPLASH splash10-0udl-0490000000-76a3482d676f1f2639b4
Source of Spectrum A1-13-1912/SMS11-5c'
Wiley ID 1753007