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Octacosane
SpectraBase Compound ID B6cRH9nmsjl
InChI InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey ZYURHZPYMFLWSH-UHFFFAOYSA-N
Mol Weight 394.8 g/mol
Molecular Formula C28H58
Exact Mass 394.453852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHF3KSFLvWK
Name Octacosane
CAS Registry Number 630-02-4
Classification Analytical reference standard
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 394.453851868 u
Formula C28H58
InChI InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey ZYURHZPYMFLWSH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 394.772 g/mol
Nominal Mass 394 u
Quality 919
Retention Index 2800
SMILES C(CCCCCCCCCCCCCC)CCCCCCCCCCCCC
SPLASH splash10-0abi-9300000000-53e2e502e26fa5844160
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms octacosane
Technique GC/MS
Wiley ID DD2024_003372