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[2'-Methyl-5'-(2"-methyl[1,3]dioxolan-2''-yl)cyclohexyl]propyl toluene-4-sulfonate
SpectraBase Compound ID AiD9afn2XNB
InChI InChI=1S/C21H32O5S/c1-16-6-10-20(11-7-16)27(22,23)26-12-4-5-18-15-19(9-8-17(18)2)21(3)24-13-14-25-21/h6-7,10-11,17-19H,4-5,8-9,12-15H2,1-3H3
InChIKey MOEJKKTXRHGZNB-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C21H32O5S
Exact Mass 396.197045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTlbn0DyDlE
Name [2'-Methyl-5'-(2"-methyl[1,3]dioxolan-2''-yl)cyclohexyl]propyl toluene-4-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O5S
InChI InChI=1S/C21H32O5S/c1-16-6-10-20(11-7-16)27(22,23)26-12-4-5-18-15-19(9-8-17(18)2)21(3)24-13-14-25-21/h6-7,10-11,17-19H,4-5,8-9,12-15H2,1-3H3
InChIKey MOEJKKTXRHGZNB-UHFFFAOYSA-N
Molecular Weight 396.542 g/mol
SMILES c1(S(=O)(=O)OCCCC2CC(C3(OCCO3)C)CCC2C)ccc(cc1)C
SPLASH splash10-000i-9000000000-be15f3c0a8a789495d32
Source of Spectrum U1-1999-1808-18
Synonyms 3-[2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclohexyl]propyl 4-methylbenzenesulfonate
Wiley ID 753080