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Eicosanoic acid 4-methyl-benzyl ester
SpectraBase Compound ID I4z5Ol12YmH
InChI InChI=1S/C28H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-25-27-23-21-26(2)22-24-27/h21-24H,3-20,25H2,1-2H3
InChIKey HPMJFRKZHFLFAA-UHFFFAOYSA-N
Mol Weight 416.7 g/mol
Molecular Formula C28H48O2
Exact Mass 416.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHNiy6NoOZ6
Name Eicosanoic acid 4-methyl-benzyl ester
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 416.365430784 u
Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-25-27-23-21-26(2)22-24-27/h21-24H,3-20,25H2,1-2H3
InChIKey HPMJFRKZHFLFAA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 416.690 g/mol
Nominal Mass 416 u
Quality 897
Retention Index 3093
SMILES C=1(C=CC(=CC1)C)COC(CCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0a4i-4900000000-bc1df25aa43506b76ab8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-methylbenzyl icosanoate
Technique GC/MS
Wiley ID DD2024_006062