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1,2,3,4-butanetetracarboxylic acid, tetracyclohexyl ester
SpectraBase Compound ID Lvtw1h1G9Xc
InChI InChI=1S/C32H50O8/c33-29(37-23-13-5-1-6-14-23)21-27(31(35)39-25-17-9-3-10-18-25)28(32(36)40-26-19-11-4-12-20-26)22-30(34)38-24-15-7-2-8-16-24/h23-28H,1-22H2
InChIKey PXXUBAZTNMWIGV-UHFFFAOYSA-N
Mol Weight 562.7 g/mol
Molecular Formula C32H50O8
Exact Mass 562.350569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzdEBmtrmIG
Name 1,2,3,4-butanetetracarboxylic acid, tetracyclohexyl ester
Alternate Name(s) Tetracyclohexyl butane-1,2,3,4-tetracarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H50O8
InChI InChI=1S/C32H50O8/c33-29(37-23-13-5-1-6-14-23)21-27(31(35)39-25-17-9-3-10-18-25)28(32(36)40-26-19-11-4-12-20-26)22-30(34)38-24-15-7-2-8-16-24/h23-28H,1-22H2
InChIKey PXXUBAZTNMWIGV-UHFFFAOYSA-N
Molecular Weight 562.744 g/mol
SMILES C(=O)(CC(C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1)OC1CCCCC1
SPLASH splash10-00ls-9751000000-bf3e045ad0a387c62db4
Source of Spectrum JX-2015-4-1205
Wiley ID 1726599