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Sebacic acid, 4-formylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-formylphenyl nonyl ester
SpectraBase Compound ID 2arHbY3Mhuq
InChI InChI=1S/C26H40O5/c1-2-3-4-5-8-11-14-21-30-25(28)15-12-9-6-7-10-13-16-26(29)31-24-19-17-23(22-27)18-20-24/h17-20,22H,2-16,21H2,1H3
InChIKey LDVQTLSRHXSKOL-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H40O5
Exact Mass 432.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfS723tpB7p
Name Sebacic acid, 4-formylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.287574383 u
Formula C26H40O5
InChI InChI=1S/C26H40O5/c1-2-3-4-5-8-11-14-21-30-25(28)15-12-9-6-7-10-13-16-26(29)31-24-19-17-23(22-27)18-20-24/h17-20,22H,2-16,21H2,1H3
InChIKey LDVQTLSRHXSKOL-UHFFFAOYSA-N
Molecular Weight 432.601 g/mol
SMILES C(CCCCCCC(OC1=CC=C(C=O)C=C1)=O)CC(OCCCCCCCCC)=O