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3-Furancarboxylic acid, tetrahydro-5,5-dimethyl-4-(phenylmethyl)-2-thioxo-, ethyl ester
SpectraBase Compound ID 84ANi6RYV6H
InChI InChI=1S/C16H20O3S/c1-4-18-14(17)13-12(16(2,3)19-15(13)20)10-11-8-6-5-7-9-11/h5-9,12-13H,4,10H2,1-3H3
InChIKey KWSARHLMUMPOLQ-UHFFFAOYSA-N
Mol Weight 292.39 g/mol
Molecular Formula C16H20O3S
Exact Mass 292.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MXK5RL81ZN
Name 3-Furancarboxylic acid, tetrahydro-5,5-dimethyl-4-(phenylmethyl)-2-thioxo-, ethyl ester
CAS Registry Number 72922-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3S
InChI InChI=1S/C16H20O3S/c1-4-18-14(17)13-12(16(2,3)19-15(13)20)10-11-8-6-5-7-9-11/h5-9,12-13H,4,10H2,1-3H3
InChIKey KWSARHLMUMPOLQ-UHFFFAOYSA-N
Molecular Weight 292.393 g/mol
SMILES C1(C(C(Cc2ccccc2)C(O1)(C)C)C(=O)OCC)=S
SPLASH splash10-00kf-8920000000-7086cf8e5034ea5c5b01
Source of Spectrum F-35-1343-0
Synonyms Ethyl 4-benzyl-5,5-dimethyl-2-thioxotetrahydro-3-furancarboxylate Tetrahydro-4-benzyl-5,5-dimethyl-2-thione-3-furnacarboxylic acid ethylester
Wiley ID 1295340