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1,2,4-Benzenetricarboxylic acid, 4-dodecyl dimethyl ester
SpectraBase Compound ID 4rnTMobA8XN
InChI InChI=1S/C23H34O6/c1-4-5-6-7-8-9-10-11-12-13-16-29-21(24)18-14-15-19(22(25)27-2)20(17-18)23(26)28-3/h14-15,17H,4-13,16H2,1-3H3
InChIKey LGFGSPGSBBUWGK-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C23H34O6
Exact Mass 406.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkRXErUXJoZ
Name 1,2,4-Benzenetricarboxylic acid, 4-dodecyl dimethyl ester
Alternate Name(s) 4-Dodecyl 1,2-dimethyl 1,2,4-benzenetricarboxylate 4-O-dodecyl 1-O,2-O-dimethyl benzene-1,2,4-tricarboxylate benzene-1,2,4-tricarboxylic acid O4-dodecyl ester O1,O2-dimethyl ester benzene-1,2,4-tricarboxylic acid O4-lauryl ester O1,O2-dimethyl ester O4-dodecyl O1,O2-dimethyl benzene-1,2,4-tricarboxylate
CAS Registry Number 33975-29-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O6
InChI InChI=1S/C23H34O6/c1-4-5-6-7-8-9-10-11-12-13-16-29-21(24)18-14-15-19(22(25)27-2)20(17-18)23(26)28-3/h14-15,17H,4-13,16H2,1-3H3
InChIKey LGFGSPGSBBUWGK-UHFFFAOYSA-N
Molecular Weight 406.519 g/mol
SMILES CCCCCCCCCCCCOC(c1ccc(c(c1)C(=O)OC)C(=O)OC)=O
SPLASH splash10-0a4i-3291000000-efbdbbd758c9cabc7f39
Source of Spectrum SD-1981-0-0
Wiley ID 1372205