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(E,2R)-22-(4-hydroxyphenyl)-2,4-dimethyl-3-docosenoic acid
SpectraBase Compound ID FQXkNz0IVtS
InChI InChI=1S/C30H50O3/c1-26(25-27(2)30(32)33)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-28-21-23-29(31)24-22-28/h21-25,27,31H,3-20H2,1-2H3,(H,32,33)/b26-25+/t27-/m1/s1
InChIKey KMTGLSXDZOJFBZ-UZOYVPSHSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aOHkW6tcBk
Name (E,2R)-22-(4-hydroxyphenyl)-2,4-dimethyl-3-docosenoic acid
Alternate Name(s) (E,2R)-22-(4-hydroxyphenyl)-2,4-dimethyl-docos-3-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-26(25-27(2)30(32)33)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-28-21-23-29(31)24-22-28/h21-25,27,31H,3-20H2,1-2H3,(H,32,33)/b26-25+/t27-/m1/s1
InChIKey KMTGLSXDZOJFBZ-UZOYVPSHSA-N
Molecular Weight 458.727 g/mol
SMILES OC([C@@](\C=C\(CCCCCCCCCCCCCCCCCCc1ccc(cc1)O)C)(C)[H])=O
SPLASH splash10-0a4i-0600900000-ae75f61e40fbe05dce67
Source of Spectrum KC-0-1606-1
Wiley ID 825379