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2H-Pyran-2-one, 4-hydroxy-6-methyl-3-[phenyl(propylthio)methyl]-
SpectraBase Compound ID FWBSLWZOhmw
InChI InChI=1S/C16H18O3S/c1-2-10-20-15(12-6-4-3-5-7-12)14-13(11-17)8-9-19-16(14)18/h3-9,15,17H,2,10-11H2,1H3
InChIKey XYCJAUZTKXNFQV-UHFFFAOYSA-N
Mol Weight 290.38 g/mol
Molecular Formula C16H18O3S
Exact Mass 290.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpY60Sn5Oeh
Name 2H-Pyran-2-one, 4-hydroxy-6-methyl-3-[phenyl(propylthio)methyl]-
CAS Registry Number 82420-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3S
InChI InChI=1S/C16H18O3S/c1-2-10-20-15(12-6-4-3-5-7-12)14-13(11-17)8-9-19-16(14)18/h3-9,15,17H,2,10-11H2,1H3
InChIKey XYCJAUZTKXNFQV-UHFFFAOYSA-N
Molecular Weight 290.377 g/mol
SMILES OCC1=C(C(OC=C1)=O)C(c1ccccc1)SCCC
SPLASH splash10-0gb9-0490000000-fb171ac1a90fc75fd4b0
Source of Spectrum Y-19-336-0
Synonyms (4-hydroxy-methyl-2-oxo-2H-pyran-3-yl)phenyl-n-propylthiomethane 4-(hydroxymethyl)-3-[phenyl(propylsulfanyl)methyl]-2H-pyran-2-one
Wiley ID 1293528