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1-[.alpha.-(4'-trifluoromethyl)benzylpyrenyl] phenylacetate
SpectraBase Compound ID DHcPZ0kSJx1
InChI InChI=1S/C32H21F3O2/c33-32(34,35)26-14-9-21(10-15-26)17-25-19-24-12-11-22-7-4-8-23-13-16-27(30(24)29(22)23)31(25)37-28(36)18-20-5-2-1-3-6-20/h1-16,19H,17-18H2
InChIKey VWDVPDLRDJESKX-UHFFFAOYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C32H21F3O2
Exact Mass 494.149364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vO5qVVqMTj
Name 1-[.alpha.-(4'-trifluoromethyl)benzylpyrenyl] phenylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H21F3O2
InChI InChI=1S/C32H21F3O2/c33-32(34,35)26-14-9-21(10-15-26)17-25-19-24-12-11-22-7-4-8-23-13-16-27(30(24)29(22)23)31(25)37-28(36)18-20-5-2-1-3-6-20/h1-16,19H,17-18H2
InChIKey VWDVPDLRDJESKX-UHFFFAOYSA-N
Molecular Weight 494.513 g/mol
SMILES c12c3c(OC(=O)Cc4ccccc4)c(cc1ccc1c2c(cc3)ccc1)Cc1ccc(C(F)(F)F)cc1
SPLASH splash10-0a4i-0029500000-77b036abba6a9dc5f98b
Source of Spectrum O-29-601-2
Wiley ID 1397991