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3-Hydrooxy-1-phenyl-5-(p-tolylthio)-4-heptanone
SpectraBase Compound ID KDknpkWA3ry
InChI InChI=1S/C20H24O2S/c1-3-19(23-17-12-9-15(2)10-13-17)20(22)18(21)14-11-16-7-5-4-6-8-16/h4-10,12-13,18-19,21H,3,11,14H2,1-2H3
InChIKey CXVPXZVSHKELPM-UHFFFAOYSA-N
Mol Weight 328.47 g/mol
Molecular Formula C20H24O2S
Exact Mass 328.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GaixAaFBRl
Name 3-Hydrooxy-1-phenyl-5-(p-tolylthio)-4-heptanone
Alternate Name(s) 3-Hydroxy-5-[(4-methylphenyl)sulfanyl]-1-phenyl-4-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O2S
InChI InChI=1S/C20H24O2S/c1-3-19(23-17-12-9-15(2)10-13-17)20(22)18(21)14-11-16-7-5-4-6-8-16/h4-10,12-13,18-19,21H,3,11,14H2,1-2H3
InChIKey CXVPXZVSHKELPM-UHFFFAOYSA-N
Molecular Weight 328.470 g/mol
SMILES OC(C(C(Sc1ccc(cc1)C)CC)=O)CCc1ccccc1
SPLASH splash10-014i-0902000000-a79a3879dfe0b1f60d8a
Source of Spectrum AJ-64-1586-30
Wiley ID 1326470