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Sebacic acid, heptyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, heptyl 4-isopropylphenyl ester
SpectraBase Compound ID DfRIQziSVzF
InChI InChI=1S/C26H42O4/c1-4-5-6-11-14-21-29-25(27)15-12-9-7-8-10-13-16-26(28)30-24-19-17-23(18-20-24)22(2)3/h17-20,22H,4-16,21H2,1-3H3
InChIKey PPVMEVGUZYLHRT-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DY642LL5XRE
Name Sebacic acid, heptyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-5-6-11-14-21-29-25(27)15-12-9-7-8-10-13-16-26(28)30-24-19-17-23(18-20-24)22(2)3/h17-20,22H,4-16,21H2,1-3H3
InChIKey PPVMEVGUZYLHRT-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(CCCCCCCC(OC=1C=CC(C(C)C)=CC1)=O)C(OCCCCCCC)=O