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1-(3-Cyclohexen-1-yl)-4-phenyl-1,4-butanedione

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

1-(3-Cyclohexen-1-yl)-4-phenyl-1,4-butanedione
SpectraBase Compound ID E3p4b8bOCGp
InChI InChI=1S/C16H18O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-5,7-8,14H,6,9-12H2
InChIKey QIROQOSYALXLBZ-UHFFFAOYSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4B6kDhclCxy
Name 1-(3-CYCLOHEXEN-1-YL)-4-PHENYL-1,4-BUTANEDIONE
Source of Sample H. STETTER, INSTITUTE OF ORGANIC CHEMISTRY, AACHEN, GERMANY
Boiling Point 158-160C/0.35mm
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2
InChI InChI=1S/C16H18O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-5,7-8,14H,6,9-12H2
InChIKey QIROQOSYALXLBZ-UHFFFAOYSA-N
Literature Reference CHEM. BER. 112, 84(1979) Abstract-Chemical Abstracts= 90, 120954(1979)
Melting Point 50-51C
Molecular Weight 242.317993
Synonyms 1,4-BUTANEDIONE, 1-/3-CYCLOHEXEN-1-YL/- 4-PHENYL-,
Technique CAPILLARY CELL: MELT (CRYSTALLINE PHASE)