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cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentyl phenethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentyl phenethyl ester
SpectraBase Compound ID Dm0SGIxZ299
InChI InChI=1S/C21H28O4/c1-2-3-9-15-24-20(22)18-12-7-8-13-19(18)21(23)25-16-14-17-10-5-4-6-11-17/h4-8,10-11,18-19H,2-3,9,12-16H2,1H3
InChIKey HSSYHHDKGGGDJV-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eoi1OjCQsEx
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 344.198759378 u
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-2-3-9-15-24-20(22)18-12-7-8-13-19(18)21(23)25-16-14-17-10-5-4-6-11-17/h4-8,10-11,18-19H,2-3,9,12-16H2,1H3
InChIKey HSSYHHDKGGGDJV-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES C=1CC(C(CC1)C(OCCC=1C=CC=CC1)=O)C(=O)OCCCCC