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1,2-Cyclohexanedicarboxylic acid, pentyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, pentyl 3-phenylpropyl ester
SpectraBase Compound ID L4l22Nawb9U
InChI InChI=1S/C22H32O4/c1-2-3-9-16-25-21(23)19-14-7-8-15-20(19)22(24)26-17-10-13-18-11-5-4-6-12-18/h4-6,11-12,19-20H,2-3,7-10,13-17H2,1H3
InChIKey XNGQHDLQLBWWOB-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5Rdu5jKa6G
Name 1,2-Cyclohexanedicarboxylic acid, pentyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-2-3-9-16-25-21(23)19-14-7-8-15-20(19)22(24)26-17-10-13-18-11-5-4-6-12-18/h4-6,11-12,19-20H,2-3,7-10,13-17H2,1H3
InChIKey XNGQHDLQLBWWOB-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C(COC(C1CCCCC1C(OCCCCC)=O)=O)CC1=CC=CC=C1