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Sebacic acid, cis-11-tetradecenyl isobutyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, cis-11-tetradecenyl isobutyl ester
SpectraBase Compound ID Iq53PrhACgi
InChI InChI=1S/C28H52O4/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-31-27(29)22-19-16-13-14-17-20-23-28(30)32-25-26(2)3/h5-6,26H,4,7-25H2,1-3H3/b6-5-
InChIKey UFENHOYTMIQMBR-WAYWQWQTSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3nRl1Ih2Cn
Name Sebacic acid, cis-11-tetradecenyl isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-31-27(29)22-19-16-13-14-17-20-23-28(30)32-25-26(2)3/h5-6,26H,4,7-25H2,1-3H3/b6-5-
InChIKey UFENHOYTMIQMBR-WAYWQWQTSA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCCCCCOC(CCCCCCCCC(OCC(C)C)=O)=O)CC\C=C/CC