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trans-1-(1-(4-chlorophenyl)vinyl)-3-methyl-3-phenylcyclobutan-1-ol
SpectraBase Compound ID F0iT3cbZV2m
InChI InChI=1S/C19H19ClO/c1-14(15-8-10-17(20)11-9-15)19(21)12-18(2,13-19)16-6-4-3-5-7-16/h3-11,21H,1,12-13H2,2H3/t18-,19-
InChIKey KGRASYSHKFCLKX-WGSAOQKQSA-N
Mol Weight 298.81 g/mol
Molecular Formula C19H19ClO
Exact Mass 298.112443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XGyZDxxFwQ
Name trans-1-(1-(4-chlorophenyl)vinyl)-3-methyl-3-phenylcyclobutan-1-ol
Appearance transparent oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClO
InChI InChI=1S/C19H19ClO/c1-14(15-8-10-17(20)11-9-15)19(21)12-18(2,13-19)16-6-4-3-5-7-16/h3-11,21H,1,12-13H2,2H3/t18-,19-
InChIKey KGRASYSHKFCLKX-WGSAOQKQSA-N
Instrument Name Agilent 7890A-5975C GC
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c02699
Reported Formula C19H19ClO
SMILES O[C@]1(C[C@](C1)(C)c1ccccc1)C(=C)c1ccc(cc1)Cl
SPLASH splash10-014j-0900000000-6dd9d1375498ada406e0
Sample Comments Trans isomer, dr (trans:cis) = 1.1:1
Source of Spectrum JOC-87-SM22-1j
Thin-Layer Chromatography Rf = 0.4 (PE/DCM, 4:6)
Wiley ID 1884209