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3-[2-Benzoyl-3-benzylmercaptopropyl]-4-hydroxy-6-methylpyran-2-one
SpectraBase Compound ID BLsCXa5keiq
InChI InChI=1S/C23H22O4S/c1-16-12-21(24)20(23(26)27-16)13-19(22(25)18-10-6-3-7-11-18)15-28-14-17-8-4-2-5-9-17/h2-12,19,24H,13-15H2,1H3
InChIKey RDQBTZDEPDYMKU-UHFFFAOYSA-N
Mol Weight 394.49 g/mol
Molecular Formula C23H22O4S
Exact Mass 394.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1L8BMufezi
Name 3-[2-Benzoyl-3-benzylmercaptopropyl]-4-hydroxy-6-methylpyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O4S
InChI InChI=1S/C23H22O4S/c1-16-12-21(24)20(23(26)27-16)13-19(22(25)18-10-6-3-7-11-18)15-28-14-17-8-4-2-5-9-17/h2-12,19,24H,13-15H2,1H3
InChIKey RDQBTZDEPDYMKU-UHFFFAOYSA-N
Molecular Weight 394.485 g/mol
SMILES OC1=C(C(OC(=C1)C)=O)CC(C(=O)c1ccccc1)CSCc1ccccc1
SPLASH splash10-0006-9000000000-c0a382dd6d3e1e93d138
Source of Spectrum H1-53-2434-14
Wiley ID 818085