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3-Cyano-4-thiomethyl-6-(4'-methoxyphenyl)-2H-pyran-2-one
SpectraBase Compound ID F0bgfjDeC1O
InChI InChI=1S/C14H11NO3S/c1-17-11-4-2-9(3-5-11)13-6-10(8-19)12(7-15)14(16)18-13/h2-6,19H,8H2,1H3
InChIKey ZOKHZXFNXBUVCJ-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C14H11NO3S
Exact Mass 273.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KB7FK0jXYxy
Name 3-Cyano-4-thiomethyl-6-(4'-methoxyphenyl)-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NO3S
InChI InChI=1S/C14H11NO3S/c1-17-11-4-2-9(3-5-11)13-6-10(8-19)12(7-15)14(16)18-13/h2-6,19H,8H2,1H3
InChIKey ZOKHZXFNXBUVCJ-UHFFFAOYSA-N
Molecular Weight 273.306 g/mol
SMILES SCC1=C(C(OC(=C1)c1ccc(cc1)OC)=O)C#N
SPLASH splash10-00dr-0490000000-305aeb1ce5373612b175
Source of Spectrum Y1-36-874-6
Synonyms 6-(4-Methoxyphenyl)-2-oxo-4-(sulfanylmethyl)-2H-pyran-3-carbonitrile
Wiley ID 1527147