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1-monoelaidin
SpectraBase Compound ID D3LohpfE0aA
InChI InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+
InChIKey RZRNAYUHWVFMIP-MDZDMXLPSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BzVKwP95E
Name 2,3-Dihydroxypropyl elaidate
CAS Registry Number 2716-53-2
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 356.292659764 u
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+
InChIKey RZRNAYUHWVFMIP-MDZDMXLPSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 356.547 g/mol
Nominal Mass 356 u
Quality 918
Retention Index 2497
SMILES OCC(COC(CCCCCCC\C=C\CCCCCCCC)=O)O
SPLASH splash10-067m-9410000000-5ecbe76905f18f7b9dfe
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,3-dihydroxypropyl (9E)-octadec-9-enoate
Technique GC/MS
Wiley ID DD2024_026407