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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 3UrwnIM9aOq
Name Octacosane
CAS Registry Number 630-02-4
Classification Hydrocarbon
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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
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCC)CC
SPLASH splash10-0a4i-9100000000-200a1703f317cd042395
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3797