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2-Methyl-4-phenyl-3-tosyl-.alpha.,.beta.-butenolide
SpectraBase Compound ID LH5HkTVXCDW
InChI InChI=1S/C18H16O4S/c1-12-8-10-15(11-9-12)23(20,21)17-13(2)18(19)22-16(17)14-6-4-3-5-7-14/h3-11,16H,1-2H3
InChIKey KUUOVGNIMPRCQS-UHFFFAOYSA-N
Mol Weight 328.38 g/mol
Molecular Formula C18H16O4S
Exact Mass 328.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JpTAfGPmB0
Name 2-Methyl-4-phenyl-3-tosyl-.alpha.,.beta.-butenolide
CAS Registry Number 118356-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4S
InChI InChI=1S/C18H16O4S/c1-12-8-10-15(11-9-12)23(20,21)17-13(2)18(19)22-16(17)14-6-4-3-5-7-14/h3-11,16H,1-2H3
InChIKey KUUOVGNIMPRCQS-UHFFFAOYSA-N
Molecular Weight 328.382 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)=C(C(=O)OC1c1ccccc1)C
SPLASH splash10-0101-2900000000-5003693a7d418789c7c2
Source of Spectrum J-54-1499-16
Synonyms 3-Methyl-4-[(4-methylphenyl)sulfonyl]-5-phenyl-2(5H)-furanone
Wiley ID 1326191