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1-Benzyl-5-keto-3,4-dihydro-2H-thiopyran-6-carboxylic acid ethyl ester
SpectraBase Compound ID BjdRaW860ut
InChI InChI=1S/C15H18O3S/c1-2-18-15(17)14-13(16)9-6-10-19(14)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKey HYHMRLIHGFKXKQ-UHFFFAOYSA-N
Mol Weight 278.37 g/mol
Molecular Formula C15H18O3S
Exact Mass 278.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyxzMoln8ht
Name 1-Benzyl-5-keto-3,4-dihydro-2H-thiopyran-6-carboxylic acid ethyl ester
CAS Registry Number 120571-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3S
InChI InChI=1S/C15H18O3S/c1-2-18-15(17)14-13(16)9-6-10-19(14)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKey HYHMRLIHGFKXKQ-UHFFFAOYSA-N
Molecular Weight 278.366 g/mol
SMILES C1(=S(CCCC1=O)Cc1ccccc1)C(=O)OCC
SPLASH splash10-0006-9210000000-43e128075daf6ec2bf7d
Source of Spectrum F-46-6518-8
Synonyms 5-Oxo-1-(phenylmethyl)-3,4-dihydro-2H-thiopyran-6-carboxylic acid ethyl ester Ethyl 1-benzyl-5-oxo-3,4-dihydro-2H-thiopyran-6-carboxylate Ethyl 5-oxidanylidene-1-(phenylmethyl)-3,4-dihydro-2H-thiopyran-6-carboxylate
Wiley ID 1281842