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Octane
SpectraBase Compound ID ANvsjtBzBwG
InChI InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKey TVMXDCGIABBOFY-UHFFFAOYSA-N
Mol Weight 114.23 g/mol
Molecular Formula C8H18
Exact Mass 114.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XvcpaUA7TE
Name Octane
CAS Registry Number 111-65-9
Classification Fuel
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 114.140850580 u
Formula C8H18
InChI InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKey TVMXDCGIABBOFY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 114.232 g/mol
Nominal Mass 114 u
Quality 976
Retention Index 800
SMILES C(CCCC)CCC
SPLASH splash10-052f-9000000000-f165c581e8d438391526
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Oktan n- n-octane
Technique GC/MS
Wiley ID DD2024_015946