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2-(2-formyl-4-methoxy-6-oxo-3-pyranyl)-2-(phenylthio)acetic acid ethyl ester
SpectraBase Compound ID 3UBKVqkcT9u
InChI InChI=1S/C17H16O6S/c1-3-22-17(20)16(24-11-7-5-4-6-8-11)15-12(21-2)9-14(19)23-13(15)10-18/h4-10,16H,3H2,1-2H3
InChIKey NCJCTZOXZUFXKQ-UHFFFAOYSA-N
Mol Weight 348.37 g/mol
Molecular Formula C17H16O6S
Exact Mass 348.066759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoTB2wZEaA7
Name 2-(2-formyl-4-methoxy-6-oxo-3-pyranyl)-2-(phenylthio)acetic acid ethyl ester
CAS Registry Number 116054-35-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O6S
InChI InChI=1S/C17H16O6S/c1-3-22-17(20)16(24-11-7-5-4-6-8-11)15-12(21-2)9-14(19)23-13(15)10-18/h4-10,16H,3H2,1-2H3
InChIKey NCJCTZOXZUFXKQ-UHFFFAOYSA-N
Molecular Weight 348.369 g/mol
SMILES C=1(C(=CC(OC1C=O)=O)OC)C(C(=O)OCC)Sc1ccccc1
SPLASH splash10-066r-3901000000-f30ceaaf38958abdcc57
Source of Spectrum J-53-5151-8
Synonyms 2-(2-formyl-6-keto-4-methoxy-pyran-3-yl)-2-(phenylthio)acetic acid ethyl ester Ethyl 2-(2-formyl-4-methoxy-6-oxo-pyran-3-yl)-2-phenylsulfanyl-acetate Ethyl 2-(2-methanoyl-4-methoxy-6-oxidanylidene-pyran-3-yl)-2-phenylsulfanyl-ethanoate
Wiley ID 1340442