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1-(4-Chlorophenyl)-2-(3,3-diphenylcycloprop-1-en-1-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol
SpectraBase Compound ID LwRBVgcBTJh
InChI InChI=1S/C36H25ClF2O/c37-29-17-11-26(12-18-29)35(40)34(33(24-13-19-30(38)20-14-24)25-15-21-31(39)22-16-25)32-23-36(32,27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-23,35,40H
InChIKey HPSMUUXZXDVHEU-UHFFFAOYSA-N
Mol Weight 547.0 g/mol
Molecular Formula C36H25ClF2O
Exact Mass 546.156199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J42fOYB6403
Name 1-(4-Chlorophenyl)-2-(3,3-diphenylcycloprop-1-en-1-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H25ClF2O
InChI InChI=1S/C36H25ClF2O/c37-29-17-11-26(12-18-29)35(40)34(33(24-13-19-30(38)20-14-24)25-15-21-31(39)22-16-25)32-23-36(32,27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-23,35,40H
InChIKey HPSMUUXZXDVHEU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol800463k
Molecular Weight 547.045 g/mol
SMILES OC(C(C=1C(C1)(c1ccccc1)c1ccccc1)=C(c1ccc(cc1)F)c1ccc(cc1)F)c1ccc(cc1)Cl
SPLASH splash10-0ab9-0609760000-cd9816fe29d6657638c6
Source of Spectrum A1-10-1943/SMS17-4g
Wiley ID 1759359