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3-(2-chlorophenyl)-2,5-dimethyl-hexa-3,4-dien-2-ol
SpectraBase Compound ID I3LGOyoJjYu
InChI InChI=1S/C14H17ClO/c1-10(2)9-12(14(3,4)16)11-7-5-6-8-13(11)15/h5-8,16H,1-4H3
InChIKey XPKFUPBUSCAYDZ-UHFFFAOYSA-N
Mol Weight 236.74 g/mol
Molecular Formula C14H17ClO
Exact Mass 236.096793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HoT97VmZk
Name 3-(2-chlorophenyl)-2,5-dimethyl-hexa-3,4-dien-2-ol
Appearance Colourless waxy solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.096792866 u
Formula C14H17ClO
InChI InChI=1S/C14H17ClO/c1-10(2)9-12(14(3,4)16)11-7-5-6-8-13(11)15/h5-8,16H,1-4H3
InChIKey XPKFUPBUSCAYDZ-UHFFFAOYSA-N
Instrument Name Finnigan Polaris Q ion trap
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201604527
Molecular Weight 236.742 g/mol
Quality 48
Reported Formula C14H17OCl
SMILES OC(C(=C=C(C)C)C1=C(C=CC=C1)Cl)(C)C
SPLASH splash10-002f-0920000000-74e4e14bf077a346edae
Source of Spectrum ACI-55-SM35-20d (DOI: 10.1002/anie.201604527)
Thin-Layer Chromatography 0.40 (ethyl acetate/n-hexane, 20%)
Wiley ID 1901024