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Sebacic acid, cis-hex-3-enyl heptadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, cis-hex-3-enyl heptadecyl ester
SpectraBase Compound ID JaKfhCl25J9
InChI InChI=1S/C33H62O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-27-31-37-33(35)29-25-22-19-18-21-24-28-32(34)36-30-26-8-6-4-2/h6,8H,3-5,7,9-31H2,1-2H3/b8-6-
InChIKey YEQLXCXRPNOJTG-VURMDHGXSA-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 GZ2cxPmtR1J
Name Sebacic acid, cis-hex-3-enyl heptadecyl 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/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-27-31-37-33(35)29-25-22-19-18-21-24-28-32(34)36-30-26-8-6-4-2/h6,8H,3-5,7,9-31H2,1-2H3/b8-6-
InChIKey YEQLXCXRPNOJTG-VURMDHGXSA-N
Molecular Weight 522.855 g/mol
SMILES C(CCCCC(OCC\C=C/CC)=O)CCCC(OCCCCCCCCCCCCCCCCC)=O