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4'-Methylthiophenylmethyl phenylglyoxylate
SpectraBase Compound ID FIUzxPUYdyO
InChI InChI=1S/C16H14O3S/c1-20-14-9-7-12(8-10-14)11-19-16(18)15(17)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey BWQWNAJMPULFPI-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C16H14O3S
Exact Mass 286.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wgbHjbLYuH
Name 4'-Methylthiophenylmethyl phenylglyoxylate
Alternate Name(s) 4-(methylsulfanyl)benzyl oxo(phenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O3S
InChI InChI=1S/C16H14O3S/c1-20-14-9-7-12(8-10-14)11-19-16(18)15(17)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey BWQWNAJMPULFPI-UHFFFAOYSA-N
Molecular Weight 286.345 g/mol
SMILES C(C(=O)c1ccccc1)(OCc1ccc(cc1)SC)=O
SPLASH splash10-000i-2900000000-19c1d006f93e764218a1
Source of Spectrum F-53-2764-7
Wiley ID 800637