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

View entire compound with spectra: 1 MS (GC)

3-Hydroxy-4-methyl-3-phenyl-5-thiacyclononanelactone diasteroisomer
SpectraBase Compound ID 8cijGFiEGwk
InChI InChI=1S/C14H18O3S/c1-11-14(16,12-7-3-2-4-8-12)13(15)17-9-5-6-10-18-11/h2-4,7-8,11,16H,5-6,9-10H2,1H3
InChIKey JRAXSCFJWDRATA-UHFFFAOYSA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWGPbf6He6Y
Name 3-Hydroxy-4-methyl-3-phenyl-5-thiacyclononanelactone diasteroisomer
Alternate Name(s) 3-Hydroxy-4-methyl-3-phenyl-1,5-oxathionan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-11-14(16,12-7-3-2-4-8-12)13(15)17-9-5-6-10-18-11/h2-4,7-8,11,16H,5-6,9-10H2,1H3
InChIKey JRAXSCFJWDRATA-UHFFFAOYSA-N
Molecular Weight 266.355 g/mol
SMILES OC1(C(OCCCCSC1C)=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-86569a7a9b13e0b9baa9
Source of Spectrum F-53-7176-3
Wiley ID 802246