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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2,4,4-trimethylpentyl undecyl ester
SpectraBase Compound ID C9Grvq2PesX
InChI InChI=1S/C27H48O4/c1-6-7-8-9-10-11-12-13-16-19-30-25(28)23-17-14-15-18-24(23)26(29)31-21-22(2)20-27(3,4)5/h14-15,22-24H,6-13,16-21H2,1-5H3
InChIKey KCOXDRZUZPGEHX-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMlCjPj8Ihz
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2,4,4-trimethylpentyl undecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-6-7-8-9-10-11-12-13-16-19-30-25(28)23-17-14-15-18-24(23)26(29)31-21-22(2)20-27(3,4)5/h14-15,22-24H,6-13,16-21H2,1-5H3
InChIKey KCOXDRZUZPGEHX-UHFFFAOYSA-N
Molecular Weight 436.677 g/mol
SMILES C1C(C(CC=C1)C(OCCCCCCCCCCC)=O)C(OCC(CC(C)(C)C)C)=O
SPLASH splash10-0kor-9610000000-a025f1222c9fd87cffb9
Source of Spectrum TIPS-2023-892-0
Wiley ID 1885598