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Heptane, 3-(chloromethyl)-
SpectraBase Compound ID IlyqIZOkzWH
InChI InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey WLVCBAMXYMWGLJ-UHFFFAOYSA-N
Mol Weight 148.68 g/mol
Molecular Formula C8H17Cl
Exact Mass 148.101878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LSRkk03Suw
Name rac-1-chloro-2-ethylhexane
Carrier Gas Nitrogen
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Exact Mass 148.101878247 u
Formula C8H17Cl
GC Column CP-Chirasil-DX CB or FS Supreme-5 MS (25 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey WLVCBAMXYMWGLJ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800588
Molecular Weight 148.677 g/mol
Quality 229
SMILES C(Cl)C(CCCC)CC
SPLASH splash10-0a4i-9000000000-fcca2f865eb3aa9a9ef3
Source of Spectrum QE-24-SM67-rac-2(18) (DOI: 10.1002/chem.201800588)
Wiley ID 1901471