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2-Methylhexane
SpectraBase Compound ID KDvAlCGQarb
InChI InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
InChIKey GXDHCNNESPLIKD-UHFFFAOYSA-N
Mol Weight 100.2 g/mol
Molecular Formula C7H16
Exact Mass 100.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JX3a1sGPaYj
Name 2-Methylhexane
CAS Registry Number 591-76-4
Classification Solvent
Comments Original RI info: <1000*
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Exact Mass 100.125200515 u
Formula C7H16
InChI InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
InChIKey GXDHCNNESPLIKD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 100.205 g/mol
SMILES CC(C)CCCC
SPLASH splash10-0006-9000000000-1a7c414fd11202994649
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_3819