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cis-Cyclohex-4-en-1,2-dicarboxylic acid, isopropyl heptyl ester

View entire compound with spectra: 1 MS (GC)

cis-Cyclohex-4-en-1,2-dicarboxylic acid, isopropyl heptyl ester
SpectraBase Compound ID 4lPvq4BDwVh
InChI InChI=1S/C18H30O4/c1-4-5-6-7-10-13-21-17(19)15-11-8-9-12-16(15)18(20)22-14(2)3/h8-9,14-16H,4-7,10-13H2,1-3H3
InChIKey HATJFWXSHMLJGE-UHFFFAOYSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cin5HmND1wX
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, isopropyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-4-5-6-7-10-13-21-17(19)15-11-8-9-12-16(15)18(20)22-14(2)3/h8-9,14-16H,4-7,10-13H2,1-3H3
InChIKey HATJFWXSHMLJGE-UHFFFAOYSA-N
Molecular Weight 310.434 g/mol
SMILES C1C(C(CC=C1)C(OCCCCCCC)=O)C(OC(C)C)=O
SPLASH splash10-00fr-9810000000-a2c68e173da926901eed
Source of Spectrum TIPS-2023-847-0
Wiley ID 1885553