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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 JQc9JXHWGog
Name Octane, 4-methyl-
Alternate Name(s) 1,3-Dimethylheptane 4-Methyl-octane EINECS 218-687-2 NSC 23691
CAS Registry Number 2216-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H20
InChI InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
InChIKey DOGIHOCMZJUJNR-UHFFFAOYSA-N
Molecular Weight 128.259 g/mol
SMILES CC(CCCC)CCC
SPLASH splash10-0006-9000000000-b2eeaf4495fc9b89dffd
Source of Spectrum O-19-432-8
Wiley ID 1131837