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1-(Buta-1,3-dienyl)-2-chlorobenzene
SpectraBase Compound ID LAub8pmQusY
InChI InChI=1S/C10H9Cl/c1-2-3-6-9-7-4-5-8-10(9)11/h2-8H,1H2
InChIKey XSURTYPKEQEUQS-UHFFFAOYSA-N
Mol Weight 164.63 g/mol
Molecular Formula C10H9Cl
Exact Mass 164.039278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EEzaAtAnqj
Name 1-(Buta-1,3-dienyl)-2-chlorobenzene
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9Cl
InChI InChI=1S/C10H9Cl/c1-2-3-6-9-7-4-5-8-10(9)11/h2-8H,1H2
InChIKey XSURTYPKEQEUQS-UHFFFAOYSA-N
Instrument Name Agilent 6890-Hewlett Packard 5973
Ionization Type EI positive ion
Literature Reference DOI 10.3762/bjoc.11.18
Molecular Weight 164.635 g/mol
Reported Formula C10H9Cl
SMILES C(=CC=C)c1c(cccc1)Cl
SPLASH splash10-004i-1900000000-12836356f6e1cf43dfa7
Sample Comments E/Z = 52:48
Source of Spectrum BJO-11-SM10-1c
Wiley ID 1851537