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cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl 3-phenylpropyl ester
SpectraBase Compound ID EN7VWmRko8A
InChI InChI=1S/C19H24O4/c1-2-22-18(20)16-12-6-7-13-17(16)19(21)23-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,16-17H,2,8,11-14H2,1H3
InChIKey IIFLFIBYMGAWNO-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1rB9tXSoxo7
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 316.167459249 u
Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-2-22-18(20)16-12-6-7-13-17(16)19(21)23-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,16-17H,2,8,11-14H2,1H3
InChIKey IIFLFIBYMGAWNO-UHFFFAOYSA-N
Molecular Weight 316.397 g/mol
SMILES C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCC