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1-(1-(4-Chlorophenyl)prop-1-en-2-yl)-2-(phenylethynyl)benzene
SpectraBase Compound ID 2CB2a78MA4i
InChI InChI=1S/C23H17Cl/c1-18(17-20-12-15-22(24)16-13-20)23-10-6-5-9-21(23)14-11-19-7-3-2-4-8-19/h2-10,12-13,15-17H,1H3
InChIKey OSNBAXQRZYSWQX-UHFFFAOYSA-N
Mol Weight 328.84 g/mol
Molecular Formula C23H17Cl
Exact Mass 328.101878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfyRCG7Wk1s
Name 1-(1-(4-Chlorophenyl)prop-1-en-2-yl)-2-(phenylethynyl)benzene
Appearance Yellow oil
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Exact Mass 328.101878247 u
Formula C23H17Cl
GC Column HP-5MS
InChI InChI=1S/C23H17Cl/c1-18(17-20-12-15-22(24)16-13-20)23-10-6-5-9-21(23)14-11-19-7-3-2-4-8-19/h2-10,12-13,15-17H,1H3
InChIKey OSNBAXQRZYSWQX-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405789
Molecular Weight 328.842 g/mol
SMILES C1=CC(=C(C=C1)C#CC1=CC=CC=C1)C(C)=CC1=CC=C(C=C1)Cl
SPLASH splash10-004i-0095000000-ba120b5326668bebf535
Sample Comments Minor isomer, dr = ~1.1:1
Source of Spectrum QE-21-SM4-2d (DOI: 10.1002/chem.201405789)
Thin-Layer Chromatography 0.48 (hexane/EtOAc, 9:1)
Wiley ID 1907698