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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 AYot7IB7YAd
Name 3-(chloromethyl)heptane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 148.101878247 u
Formula C8H17Cl
InChI InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey WLVCBAMXYMWGLJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202203807
Molecular Weight 148.677 g/mol
Quality 120
Reported Formula C8H17Cl]
SMILES C(Cl)C(CC)CCCC
SPLASH splash10-0a4l-9000000000-4823c33a0ae2e978b82d
Source of Spectrum ACI-61-SM19-2 (DOI: 10.1002/anie.202203807)
Wiley ID 1897846