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Sebacic acid, nonyl tetradec-2-enyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, nonyl tetradec-2-enyl ester
SpectraBase Compound ID 8j8ynIsvy3Z
InChI InChI=1S/C33H62O4/c1-3-5-7-9-11-12-13-14-15-19-23-27-31-37-33(35)29-25-21-17-16-20-24-28-32(34)36-30-26-22-18-10-8-6-4-2/h23,27H,3-22,24-26,28-31H2,1-2H3/b27-23+
InChIKey PHVNKBOZGXPIFT-SLEBQGDGSA-N
Mol Weight 522.9 g/mol
Molecular Formula C33H62O4
Exact Mass 522.46481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JrX4wawTip
Name Sebacic acid, nonyl tetradec-2-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.464810472 u
Formula C33H62O4
InChI InChI=1S/C33H62O4/c1-3-5-7-9-11-12-13-14-15-19-23-27-31-37-33(35)29-25-21-17-16-20-24-28-32(34)36-30-26-22-18-10-8-6-4-2/h23,27H,3-22,24-26,28-31H2,1-2H3/b27-23+
InChIKey PHVNKBOZGXPIFT-SLEBQGDGSA-N
Molecular Weight 522.855 g/mol
SMILES C(CCCCCC(OC\C=C\CCCCCCCCCCC)=O)CCC(OCCCCCCCCC)=O