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Sebacic acid, cis-hex-3-enyl hexadecyl ester
SpectraBase Compound ID EHURxlOLBqm
InChI InChI=1S/C32H60O4/c1-3-5-7-9-10-11-12-13-14-15-16-19-22-26-30-36-32(34)28-24-21-18-17-20-23-27-31(33)35-29-25-8-6-4-2/h6,8H,3-5,7,9-30H2,1-2H3/b8-6-
InChIKey ARLOYSVJGLVDRF-VURMDHGXSA-N
Mol Weight 508.8 g/mol
Molecular Formula C32H60O4
Exact Mass 508.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6teCnHkJO9
Name Sebacic acid, cis-hex-3-enyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.449160408 u
Formula C32H60O4
InChI InChI=1S/C32H60O4/c1-3-5-7-9-10-11-12-13-14-15-16-19-22-26-30-36-32(34)28-24-21-18-17-20-23-27-31(33)35-29-25-8-6-4-2/h6,8H,3-5,7,9-30H2,1-2H3/b8-6-
InChIKey ARLOYSVJGLVDRF-VURMDHGXSA-N
Molecular Weight 508.828 g/mol
SMILES C(CCCCC(OCC\C=C/CC)=O)CCCC(OCCCCCCCCCCCCCCCC)=O