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Octane, 4-methyl-
SpectraBase Compound ID EKMbitLyAoc
InChI InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
InChIKey DOGIHOCMZJUJNR-UHFFFAOYSA-N
Mol Weight 128.26 g/mol
Molecular Formula C9H20
Exact Mass 128.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ksFhJyDKhE
Name 4-Methyl-octane
CAS Registry Number 2216-34-4
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 128.156500644 u
Formula C9H20
InChI InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
InChIKey DOGIHOCMZJUJNR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 128.259 g/mol
Nominal Mass 128 u
Quality 803
Retention Index 884
SMILES C(CCCC)(CCC)C
SPLASH splash10-0006-9000000000-be2d29b485e20fea718d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-methyloctane
Technique GC/MS
Wiley ID DD2024_009711