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3-Hydroxy-4-methyl-3-phenyl-5-thiacyclotridecanelactone

View entire compound with spectra: 1 MS (GC)

3-Hydroxy-4-methyl-3-phenyl-5-thiacyclotridecanelactone
SpectraBase Compound ID IuXUK3w12j2
InChI InChI=1S/C18H26O3S/c1-15-18(20,16-11-7-6-8-12-16)17(19)21-13-9-4-2-3-5-10-14-22-15/h6-8,11-12,15,20H,2-5,9-10,13-14H2,1H3
InChIKey QDAGXSHVMWPWSZ-UHFFFAOYSA-N
Mol Weight 322.46 g/mol
Molecular Formula C18H26O3S
Exact Mass 322.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9d5I7Kwj9x1
Name 3-Hydroxy-4-methyl-3-phenyl-5-thiacyclotridecanelactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O3S
InChI InChI=1S/C18H26O3S/c1-15-18(20,16-11-7-6-8-12-16)17(19)21-13-9-4-2-3-5-10-14-22-15/h6-8,11-12,15,20H,2-5,9-10,13-14H2,1H3
InChIKey QDAGXSHVMWPWSZ-UHFFFAOYSA-N
Molecular Weight 322.463 g/mol
SMILES OC1(C(OCCCCCCCCSC1C)=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-f1642d1b8977c1bb87be
Source of Spectrum F-53-7177-3
Synonyms 3-Hydroxy-4-methyl-3-phenyl-1-oxa-5-thiacyclotridecan-2-one
Wiley ID 802241