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(1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.,6.beta.)-hexakis[(butoxycarbonyl)methyl]cyclohexane
SpectraBase Compound ID CgIa6WZl66U
InChI InChI=1S/C42H72O12/c1-7-13-19-49-37(43)25-31-32(26-38(44)50-20-14-8-2)34(28-40(46)52-22-16-10-4)36(30-42(48)54-24-18-12-6)35(29-41(47)53-23-17-11-5)33(31)27-39(45)51-21-15-9-3/h31-36H,7-30H2,1-6H3/t31-,32-,33+,34+,35-,36-
InChIKey QCVRTCTWTZUMEH-SFSFLPEXSA-N
Mol Weight 769.0 g/mol
Molecular Formula C42H72O12
Exact Mass 768.502378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3wkKRbqTCx
Name (1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.,6.beta.)-hexakis[(butoxycarbonyl)methyl]cyclohexane
Alternate Name(s) Butyl[2,3,4,5,6-pentakis(2-butoxy-2-oxoethyl)cyclohexyl]acetate
CAS Registry Number 135191-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H72O12
InChI InChI=1S/C42H72O12/c1-7-13-19-49-37(43)25-31-32(26-38(44)50-20-14-8-2)34(28-40(46)52-22-16-10-4)36(30-42(48)54-24-18-12-6)35(29-41(47)53-23-17-11-5)33(31)27-39(45)51-21-15-9-3/h31-36H,7-30H2,1-6H3/t31-,32-,33+,34+,35-,36-
InChIKey QCVRTCTWTZUMEH-SFSFLPEXSA-N
Molecular Weight 769.026 g/mol
SMILES [C@]1([C@@]([C@@](CC(=O)OCCCC)([C@@]([C@]([C@@]1(CC(=O)OCCCC)[H])(CC(=O)OCCCC)[H])(CC(=O)OCCCC)[H])[H])(CC(=O)OCCCC)[H])(CC(=O)OCCCC)[H]
SPLASH splash10-0560-0000690000-693eec0fe0fa17c38efa
Source of Spectrum K-124-2528-16
Wiley ID 1416684