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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2,4,4-trimethylpentyl heptyl ester
SpectraBase Compound ID 4EIm4mhuVhx
InChI InChI=1S/C23H40O4/c1-6-7-8-9-12-15-26-21(24)19-13-10-11-14-20(19)22(25)27-17-18(2)16-23(3,4)5/h10-11,18-20H,6-9,12-17H2,1-5H3
InChIKey NAUMNIRVCYJRIT-UHFFFAOYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2B4uFFxtKK
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2,4,4-trimethylpentyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-6-7-8-9-12-15-26-21(24)19-13-10-11-14-20(19)22(25)27-17-18(2)16-23(3,4)5/h10-11,18-20H,6-9,12-17H2,1-5H3
InChIKey NAUMNIRVCYJRIT-UHFFFAOYSA-N
Molecular Weight 380.569 g/mol
SMILES C1C(C(CC=C1)C(OCCCCCCC)=O)C(OCC(CC(C)(C)C)C)=O
SPLASH splash10-0kmi-9510000000-4f50e86da7f0db1c8d71
Source of Spectrum TIPS-2023-888-0
Wiley ID 1885594