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Isophthalic acid, nonyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, nonyl 3-phenylpropyl ester
SpectraBase Compound ID ImjamCeMmXx
InChI InChI=1S/C26H34O4/c1-2-3-4-5-6-7-11-19-29-25(27)23-17-12-18-24(21-23)26(28)30-20-13-16-22-14-9-8-10-15-22/h8-10,12,14-15,17-18,21H,2-7,11,13,16,19-20H2,1H3
InChIKey YXZZKKPQVNFBEC-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 1Voagk4Fys1
Name Isophthalic 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/c1-2-3-4-5-6-7-11-19-29-25(27)23-17-12-18-24(21-23)26(28)30-20-13-16-22-14-9-8-10-15-22/h8-10,12,14-15,17-18,21H,2-7,11,13,16,19-20H2,1H3
InChIKey YXZZKKPQVNFBEC-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(COC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O)CC1=CC=CC=C1