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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2,4,4-trimethylpentyl pentyl ester
SpectraBase Compound ID L7R2PXj1ja9
InChI InChI=1S/C21H36O4/c1-6-7-10-13-24-19(22)17-11-8-9-12-18(17)20(23)25-15-16(2)14-21(3,4)5/h8-9,16-18H,6-7,10-15H2,1-5H3
InChIKey SFALXYPSGNTVEA-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4q9TCQuB5nR
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2,4,4-trimethylpentyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-6-7-10-13-24-19(22)17-11-8-9-12-18(17)20(23)25-15-16(2)14-21(3,4)5/h8-9,16-18H,6-7,10-15H2,1-5H3
InChIKey SFALXYPSGNTVEA-UHFFFAOYSA-N
Molecular Weight 352.515 g/mol
SMILES C1C(C(CC=C1)C(OCCCCC)=O)C(OCC(CC(C)(C)C)C)=O
SPLASH splash10-0kml-9600000000-baca5539a66f4cd16d69
Source of Spectrum TIPS-2023-886-0
Wiley ID 1885592