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3-Hydroxy-4-methyl-3-phenyl-5-thiacyclooctanelactone diasteroisomer

View entire compound with spectra: 2 MS (GC)

3-Hydroxy-4-methyl-3-phenyl-5-thiacyclooctanelactone diasteroisomer
SpectraBase Compound ID 9t72mqNUIDg
InChI InChI=1S/C13H16O3S/c1-10-13(15,11-6-3-2-4-7-11)12(14)16-8-5-9-17-10/h2-4,6-7,10,15H,5,8-9H2,1H3
InChIKey GNOHVZDQJIOCLS-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lBcmBbHxS3
Name 3-Hydroxy-4-methyl-3-phenyl-5-thiacyclooctanelactone diasteroisomer
Alternate Name(s) 3-Hydroxy-4-methyl-3-phenyl-5-thiacyclooctanelactone 3-Hydroxy-4-methyl-3-phenyl-1,5-oxathiocan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-10-13(15,11-6-3-2-4-7-11)12(14)16-8-5-9-17-10/h2-4,6-7,10,15H,5,8-9H2,1H3
InChIKey GNOHVZDQJIOCLS-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES OC1(C(OCCCSC1C)=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-783af1b81860d6b93526
Source of Spectrum F-53-7176-3
Wiley ID 802248