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21-pentadecanoyloxyhenicosanoic acid
SpectraBase Compound ID HZeHYTqK1Nt
InChI InChI=1S/C36H70O4/c1-2-3-4-5-6-7-8-18-21-24-27-30-33-36(39)40-34-31-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-29-32-35(37)38/h2-34H2,1H3,(H,37,38)
InChIKey QWGIYAJQBKFYNB-UHFFFAOYSA-N
Mol Weight 567.0 g/mol
Molecular Formula C36H70O4
Exact Mass 566.527411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyckGJAE5dd
Name 21-pentadecanoyloxyhenicosanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H70O4
InChI InChI=1S/C36H70O4/c1-2-3-4-5-6-7-8-18-21-24-27-30-33-36(39)40-34-31-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-29-32-35(37)38/h2-34H2,1H3,(H,37,38)
InChIKey QWGIYAJQBKFYNB-UHFFFAOYSA-N
Instrument Name Jeol-JMS D 300
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2012.11.020
Molecular Weight 566.952 g/mol
SMILES OC(CCCCCCCCCCCCCCCCCCCCOC(CCCCCCCCCCCCCC)=O)=O
SPLASH splash10-0a4i-9000000000-3f979a5a82ec557199d2
Source of Spectrum AJC-10-S743-3
Wiley ID 1857133