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Sebacic acid, pentyl trans-3-hexenyl ester
SpectraBase Compound ID 2N0IMaHZLfv
InChI InChI=1S/C21H38O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-8-10-12-16-20(22)24-18-14-6-4-2/h5,7H,3-4,6,8-19H2,1-2H3/b7-5+
InChIKey YDPUFZCPFSPOLQ-FNORWQNLSA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0SplLWQB7Y
Name Sebacic acid, pentyl trans-3-hexenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.277009700 u
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-8-10-12-16-20(22)24-18-14-6-4-2/h5,7H,3-4,6,8-19H2,1-2H3/b7-5+
InChIKey YDPUFZCPFSPOLQ-FNORWQNLSA-N
Molecular Weight 354.531 g/mol
SMILES CC\C=C\CCOC(CCCCCCCCC(OCCCCC)=O)=O