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Sebacic acid, isobutyl tetradec-2-enyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, isobutyl tetradec-2-enyl ester
SpectraBase Compound ID 6QoKSUHufrR
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/h18,21,26H,4-17,19-20,22-25H2,1-3H3/b21-18+
InChIKey YKKONRMBDWKRCT-DYTRJAOYSA-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 Lv7MFVltwdb
Name Sebacic acid, isobutyl tetradec-2-enyl 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/h18,21,26H,4-17,19-20,22-25H2,1-3H3/b21-18+
InChIKey YKKONRMBDWKRCT-DYTRJAOYSA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCCCC(OC\C=C\CCCCCCCCCCC)=O)CCC(OCC(C)C)=O