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(2R)-2-Benzyloxy-4-docosenic acid
SpectraBase Compound ID 5VpcPmAes1N
InChI InChI=1S/C29H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(29(30)31)32-26-27-23-20-19-21-24-27/h18-24,28H,2-17,25-26H2,1H3,(H,30,31)/b22-18+/t28-/m1/s1
InChIKey OTUWKRINNQLLGF-MXOIOMGLSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nUePaNQGyn
Name (2R)-2-Benzyloxy-4-docosenic acid
Alternate Name(s) (R,E)-2-(benzyloxy)docos-4-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(29(30)31)32-26-27-23-20-19-21-24-27/h18-24,28H,2-17,25-26H2,1H3,(H,30,31)/b22-18+/t28-/m1/s1
InChIKey OTUWKRINNQLLGF-MXOIOMGLSA-N
Literature Reference DOI 10.1002/cjoc.20030210743
Molecular Weight 444.700 g/mol
SMILES OC([C@@](C\C=C\CCCCCCCCCCCCCCCCC)(OCc1ccccc1)[H])=O
SPLASH splash10-0006-9000000000-580193f557ec0a92a2c5
Source of Spectrum CJC-21-941-8
Wiley ID 1773835