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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-propylpentyl dodecyl ester

View entire compound with spectra: 1 MS (GC)

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-propylpentyl dodecyl ester
SpectraBase Compound ID K4ZipEfipiI
InChI InChI=1S/C28H50O4/c1-4-7-8-9-10-11-12-13-14-17-22-31-27(29)25-20-15-16-21-26(25)28(30)32-23-24(18-5-2)19-6-3/h15-16,24-26H,4-14,17-23H2,1-3H3
InChIKey UBWKRIVAKPASNO-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Bn9UBXwEa0
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-propylpentyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-4-7-8-9-10-11-12-13-14-17-22-31-27(29)25-20-15-16-21-26(25)28(30)32-23-24(18-5-2)19-6-3/h15-16,24-26H,4-14,17-23H2,1-3H3
InChIKey UBWKRIVAKPASNO-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES C1C(C(CC=C1)C(OCCCCCCCCCCCC)=O)C(OCC(CCC)CCC)=O
SPLASH splash10-00di-9810000000-ae9ecc9f0a6f8fd3c0b9
Source of Spectrum TIPS-2023-879-0
Wiley ID 1885585