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1,4-Dioxadispiro[4.1.5.3]pentadecan-10-one, 13-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-
SpectraBase Compound ID CXbEVoGSEmv
InChI InChI=1S/C21H28O6S/c1-16-2-4-19(5-3-16)28(23,24)27-14-17-6-11-21(25-12-13-26-21)15-20(17)9-7-18(22)8-10-20/h2-5,17H,6-15H2,1H3
InChIKey BYEVQCTUZLESBY-UHFFFAOYSA-N
Mol Weight 408.51 g/mol
Molecular Formula C21H28O6S
Exact Mass 408.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzdiZOkfFtn
Name 1,4-Dioxadispiro[4.1.5.3]pentadecan-10-one, 13-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-
CAS Registry Number 108643-36-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O6S
InChI InChI=1S/C21H28O6S/c1-16-2-4-19(5-3-16)28(23,24)27-14-17-6-11-21(25-12-13-26-21)15-20(17)9-7-18(22)8-10-20/h2-5,17H,6-15H2,1H3
InChIKey BYEVQCTUZLESBY-UHFFFAOYSA-N
Molecular Weight 408.509 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C1C2(CC3(CC1)OCCO3)CCC(CC2)=O
SPLASH splash10-0udi-0090000000-d2bdf7e12dae98bdd802
Source of Spectrum KC-1986-1512-18
Synonyms (10-oxo-1,4-dioxadispiro[4.1.5.3]pentadec-13-yl)methyl 4-methylbenzenesulfonate 4,4-Ethylenedioxy-1-p-tolylsulphonyloxymethylspiro[5.5]undecan-9-one
Wiley ID 1372866