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3-Hydroxy-4-methyl-3-phenyl-5-thiacycloundecanelactone

View entire compound with spectra: 1 MS (GC)

3-Hydroxy-4-methyl-3-phenyl-5-thiacycloundecanelactone
SpectraBase Compound ID GrfuqTc7K13
InChI InChI=1S/C16H22O3S/c1-13-16(18,14-9-5-4-6-10-14)15(17)19-11-7-2-3-8-12-20-13/h4-6,9-10,13,18H,2-3,7-8,11-12H2,1H3
InChIKey ZDDUAJDICMBDMU-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TmVxXCV5uT
Name 3-Hydroxy-4-methyl-3-phenyl-5-thiacycloundecanelactone
Alternate Name(s) 3-Hydroxy-4-methyl-3-phenyl-1-oxa-5-thiacycloundecan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-13-16(18,14-9-5-4-6-10-14)15(17)19-11-7-2-3-8-12-20-13/h4-6,9-10,13,18H,2-3,7-8,11-12H2,1H3
InChIKey ZDDUAJDICMBDMU-UHFFFAOYSA-N
Molecular Weight 294.409 g/mol
SMILES OC1(C(OCCCCCCSC1C)=O)c1ccccc1
SPLASH splash10-056r-9610000000-2579710862ba68633601
Source of Spectrum F-53-7177-3
Wiley ID 802243