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Methyl (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenoate

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Methyl (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenoate
SpectraBase Compound ID 1hxnhGbPO4V
InChI InChI=1S/C23H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-22H,3,6,9,12,15,18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-,22-21+
InChIKey AHFDUKKVQYWTII-IBYUWHLMSA-N
Mol Weight 340.5 g/mol
Molecular Formula C23H32O2
Exact Mass 340.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZGSQJYRHWV
Name Methyl (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.240230268 u
Formula C23H32O2
InChI InChI=1S/C23H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-22H,3,6,9,12,15,18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-,22-21+
InChIKey AHFDUKKVQYWTII-IBYUWHLMSA-N
Molecular Weight 340.507 g/mol
SMILES C(\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OC