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Octadecyloctanoate
SpectraBase Compound ID K2aYCosgcZa
InChI InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h3-25H2,1-2H3
InChIKey VNLRTFSQCPNNIM-UHFFFAOYSA-N
Mol Weight 396.7 g/mol
Molecular Formula C26H52O2
Exact Mass 396.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TlF9IKYnzS
Name Octadecyloctanoate
CAS Registry Number 18312-31-7
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 396.396730912 u
Formula C26H52O2
InChI InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h3-25H2,1-2H3
InChIKey VNLRTFSQCPNNIM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 396.700 g/mol
Nominal Mass 396 u
Quality 962
Retention Index 2792
SMILES C(OCCCCCCCCCCCCCCCCCC)(CCCCCCC)=O
SPLASH splash10-052b-9500000000-aaf6dc02ad470fc5b51d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Octanoic acid,octadecyl ester Octanoic acid octadecyl ester
Technique GC/MS
Wiley ID DD2024_023836