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1-Butyl-4-chlorobenzene
SpectraBase Compound ID Aq45xgKrFc4
InChI InChI=1S/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChIKey SKNUPXIXICTRJE-UHFFFAOYSA-N
Mol Weight 168.67 g/mol
Molecular Formula C10H13Cl
Exact Mass 168.070578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BX3mOsEC8SW
Name 1-Butyl-4-chlorobenzene
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.070578119 u
Formula C10H13Cl
InChI InChI=1S/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChIKey SKNUPXIXICTRJE-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7820A-5975 series MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808386
Molecular Weight 168.667 g/mol
Quality 292
SMILES C(CCC)C1=CC=C(C=C1)Cl
SPLASH splash10-004i-1900000000-35246b4b57153fa080b9
Source of Spectrum ACI-57-SM8-14 (DOI: 10.1002/anie.201808386)
Thin-Layer Chromatography 0.70 (Hexane)
Wiley ID 1893407