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Phthalic acid, nonyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl 3-phenylpropyl ester
SpectraBase Compound ID Kbm8Pyvq4Kq
InChI InChI=1S/C26H34O4/c1-2-3-4-5-6-7-13-20-29-25(27)23-18-11-12-19-24(23)26(28)30-21-14-17-22-15-9-8-10-16-22/h8-12,15-16,18-19H,2-7,13-14,17,20-21H2,1H3
InChIKey RKNYSXYNRSBQPD-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7kawt7OR6sZ
Name Phthalic acid, nonyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-2-3-4-5-6-7-13-20-29-25(27)23-18-11-12-19-24(23)26(28)30-21-14-17-22-15-9-8-10-16-22/h8-12,15-16,18-19H,2-7,13-14,17,20-21H2,1H3
InChIKey RKNYSXYNRSBQPD-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES CCCCCCCCCOC(C1=CC=CC=C1C(OCCCC1=CC=CC=C1)=O)=O