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trans-3-methyl-1-(1-phenylvinyl)-3-(p-tolyl)cyclobutan-1-ol
SpectraBase Compound ID D6PsRrsp5tb
InChI InChI=1S/C20H22O/c1-15-9-11-18(12-10-15)19(3)13-20(21,14-19)16(2)17-7-5-4-6-8-17/h4-12,21H,2,13-14H2,1,3H3/t19-,20-
InChIKey ONMOOZQRIAILMO-MXVIHJGJSA-N
Mol Weight 278.39 g/mol
Molecular Formula C20H22O
Exact Mass 278.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pjEegDBZfw
Name trans-3-methyl-1-(1-phenylvinyl)-3-(p-tolyl)cyclobutan-1-ol
Appearance transparent oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O
InChI InChI=1S/C20H22O/c1-15-9-11-18(12-10-15)19(3)13-20(21,14-19)16(2)17-7-5-4-6-8-17/h4-12,21H,2,13-14H2,1,3H3/t19-,20-
InChIKey ONMOOZQRIAILMO-MXVIHJGJSA-N
Instrument Name Agilent 7890A-5975C GC
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c02699
Molecular Weight 278.395 g/mol
Reported Formula C20H22O
SMILES O[C@]1(C[C@](C1)(C)c1ccc(cc1)C)C(=C)c1ccccc1
SPLASH splash10-001i-0910000000-082a237591f94aa79573
Sample Comments Trans isomer, dr (trans:cis) = 1.3:1
Source of Spectrum JOC-87-SM17-1c
Thin-Layer Chromatography Rf = 0.20 (PE/DCM, 60:40)
Wiley ID 1884202