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Cyclohexanepropanoic acid, 2-(acetyloxy)-, 3-[2-(acetyloxy)cyclohexyl]propyl ester, [1.alpha.(1S*,2S*),2.alpha.]-
SpectraBase Compound ID BNfbEXWICtu
InChI InChI=1S/C22H36O6/c1-16(23)27-20-11-5-3-8-18(20)10-7-15-26-22(25)14-13-19-9-4-6-12-21(19)28-17(2)24/h18-21H,3-15H2,1-2H3/t18?,19-,20?,21-/m1/s1
InChIKey YLAPEIIYTHMKSU-GOLJUSPKSA-N
Mol Weight 396.5 g/mol
Molecular Formula C22H36O6
Exact Mass 396.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hs3ufJNs61H
Name Cyclohexanepropanoic acid, 2-(acetyloxy)-, 3-[2-(acetyloxy)cyclohexyl]propyl ester, [1.alpha.(1S*,2S*),2.alpha.]-
CAS Registry Number 60211-17-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O6
InChI InChI=1S/C22H36O6/c1-16(23)27-20-11-5-3-8-18(20)10-7-15-26-22(25)14-13-19-9-4-6-12-21(19)28-17(2)24/h18-21H,3-15H2,1-2H3/t18?,19-,20?,21-/m1/s1
InChIKey YLAPEIIYTHMKSU-GOLJUSPKSA-N
Molecular Weight 396.524 g/mol
SMILES C(O[C@]1([C@@](CCC(=O)OCCCC2C(OC(=O)C)CCCC2)(CCCC1)[H])[H])(=O)C
SPLASH splash10-006x-9500000000-dbb100c8c6ff8f74f595
Source of Spectrum H-59-329-41
Synonyms 3-[2-(acetyloxy)cyclohexyl]propyl 3-[(1R,2R)-2-(acetyloxy)cyclohexyl]propanoate cis-3-(2'-acetoxy-cyclohexyl)propionic acid, cis-3''-(2'''-acetoxy-cyclohexyl)propyl ester cis-3-(2'-acetoxy-cyclohexyl)propionic acid, cis-3''-(2'''-acetoxy-cyclohexyl)propyl ester
Wiley ID 1367485