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1-(chloromethyl)-4-cyclohexylbenzene
SpectraBase Compound ID LjQJQSFr2sO
InChI InChI=1S/C13H17Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2
InChIKey DNEPVPBJDHQGRK-UHFFFAOYSA-N
Mol Weight 208.73 g/mol
Molecular Formula C13H17Cl
Exact Mass 208.101878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7IMnQpCH4Y
Name 1-(chloromethyl)-4-cyclohexylbenzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.101878247 u
Formula C13H17Cl
InChI InChI=1S/C13H17Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2
InChIKey DNEPVPBJDHQGRK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701691
Molecular Weight 208.732 g/mol
Quality 178
Reported Formula C13H17Cl
SMILES C1=C(C=CC(=C1)C1CCCCC1)CCl
SPLASH splash10-0q4l-1920000000-21bbacd1dfb9fc629d16
Source of Spectrum ACI-56-SM13-4f (DOI: 10.1002/anie.201701691)
Thin-Layer Chromatography 0.34 (Hexane)
Wiley ID 1895988