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(E)-9-octadecenoic acid 2-[(E)-1-oxooctadec-9-enoxy]ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(E)-9-octadecenoic acid 2-[(E)-1-oxooctadec-9-enoxy]ethyl ester
SpectraBase Compound ID 14465lv1a6l
InChI InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17+,20-18+
InChIKey NKSOSPOXQKNIKJ-XPWSMXQVSA-N
Mol Weight 591.0 g/mol
Molecular Formula C38H70O4
Exact Mass 590.527411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yiIo7Go1rO
Name (E)-9-Octadecenoic acid 2-[(E)-1-oxooctadec-9-enoxy]ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 590.527410730 u
Formula C38H70O4
InChI InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17+,20-18+
InChIKey NKSOSPOXQKNIKJ-XPWSMXQVSA-N
Molecular Weight 590.974 g/mol
SMILES C(=O)(OCCOC(=O)CCCCCCC\C=C\CCCCCCCC)CCCCCCC\C=C\CCCCCCCC