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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 5xnWBTFpJpK
Name 3-(chloromethyl)heptane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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.202103031
Molecular Weight 148.677 g/mol
Reported Formula C8H17Cl
SMILES C(Cl)C(CC)CCCC
SPLASH splash10-0a4l-9000000000-3da97c41c7f1d5013b2c
Source of Spectrum ACI-60-SM18-2
Wiley ID 1882537