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2-(3-chloro-4-methylphenyl)-4,4-dimethylpentan-2-ol
SpectraBase Compound ID ISNwxscMfwM
InChI InChI=1S/C14H21ClO/c1-10-6-7-11(8-12(10)15)14(5,16)9-13(2,3)4/h6-8,16H,9H2,1-5H3
InChIKey GDSVCXQMDXXKHY-UHFFFAOYSA-N
Mol Weight 240.77 g/mol
Molecular Formula C14H21ClO
Exact Mass 240.128093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Nx8kYaqP3r
Name 2-(3-chloro-4-methylphenyl)-4,4-dimethylpentan-2-ol
Appearance Colourless oil
Carrier Gas Nitrogen
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Exact Mass 240.128092995 u
Formula C14H21ClO
InChI InChI=1S/C14H21ClO/c1-10-6-7-11(8-12(10)15)14(5,16)9-13(2,3)4/h6-8,16H,9H2,1-5H3
InChIKey GDSVCXQMDXXKHY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709553
Molecular Weight 240.774 g/mol
Quality 168
Reported Formula C14H21ClO
SMILES OC(C1=CC(Cl)=C(C=C1)C)(CC(C)(C)C)C
SPLASH splash10-014i-2900000000-7d4a8ca0e7e0c42c4ab2
Source of Spectrum ACI-56-SM11-5g (DOI: 10.1002/anie.201709553)
Thin-Layer Chromatography 0.17 (SiO2, i-hexane/EtOAc, 98:2)
Wiley ID 1896764