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Phthalic acid, cyclohexylmethyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexylmethyl 3-phenylpropyl ester
SpectraBase Compound ID Grb4beBoA4a
InChI InChI=1S/C24H28O4/c25-23(27-17-9-14-19-10-3-1-4-11-19)21-15-7-8-16-22(21)24(26)28-18-20-12-5-2-6-13-20/h1,3-4,7-8,10-11,15-16,20H,2,5-6,9,12-14,17-18H2
InChIKey KBNJJDQLUDUDEA-UHFFFAOYSA-N
Mol Weight 380.48 g/mol
Molecular Formula C24H28O4
Exact Mass 380.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmsSa7s1sT3
Name Phthalic acid, cyclohexylmethyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.198759378 u
Formula C24H28O4
InChI InChI=1S/C24H28O4/c25-23(27-17-9-14-19-10-3-1-4-11-19)21-15-7-8-16-22(21)24(26)28-18-20-12-5-2-6-13-20/h1,3-4,7-8,10-11,15-16,20H,2,5-6,9,12-14,17-18H2
InChIKey KBNJJDQLUDUDEA-UHFFFAOYSA-N
Molecular Weight 380.484 g/mol
SMILES C1(=C(C=CC=C1)C(OCC1CCCCC1)=O)C(OCCCC1=CC=CC=C1)=O