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1,4-Benzoxathiin-2(3H)-one, 6-hydroxy-5,8-dioctyl-
SpectraBase Compound ID AJDVrXbuzE3
InChI InChI=1S/C24H38O3S/c1-3-5-7-9-11-13-15-19-17-21(25)20(16-14-12-10-8-6-4-2)24-23(19)27-22(26)18-28-24/h17,25H,3-16,18H2,1-2H3
InChIKey KYIQOCZHEMKGRF-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O3S
Exact Mass 406.254166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Yrhze1YY8k
Name 1,4-Benzoxathiin-2(3H)-one, 6-hydroxy-5,8-dioctyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O3S
InChI InChI=1S/C24H38O3S/c1-3-5-7-9-11-13-15-19-17-21(25)20(16-14-12-10-8-6-4-2)24-23(19)27-22(26)18-28-24/h17,25H,3-16,18H2,1-2H3
InChIKey KYIQOCZHEMKGRF-UHFFFAOYSA-N
Molecular Weight 406.625 g/mol
SMILES Oc1cc(CCCCCCCC)c2c(c1CCCCCCCC)SCC(=O)O2
SPLASH splash10-0a4i-3345900000-605cab5c2dbdcdca5e8b
Source of Spectrum JX-2015-4-106
Synonyms 6-Hydroxy-5,8-dioctylbenzo[b][1,4]oxathiin-2(3H)-one 6-Hydroxy-5,8-dioctyl-1,4-benzoxathiin-2(3H)-one 5,8-Dioctyl-6-oxidanyl-1,4-benzoxathiin-2-one
Wiley ID 1725557