1-[.alpha.-(4'-trifluoromethyl)-.alpha.-deuteriobenzylpyrenyl] phenylacetate

SpectraBase Compound ID	9DcAFlGMo59
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/i17D
InChIKey	VWDVPDLRDJESKX-OKWSDYJOSA-N Google Search
Mol Weight	495.5 g/mol
Molecular Formula	C32H20DF3O2
Exact Mass	495.155641 g/mol

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SpectraBase Spectrum ID	GLMbgZ3zfUQ
Name	1-[.alpha.-(4'-trifluoromethyl)-.alpha.-deuteriobenzylpyrenyl] phenylacetate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H20DF3O2
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/i17D
InChIKey	VWDVPDLRDJESKX-OKWSDYJOSA-N
Molecular Weight	495.519 g/mol
SMILES	c1(c(c2c3c4c(cccc4cc2)ccc3c1)OC(=O)Cc1ccccc1)C(c1ccc(C(F)(F)F)cc1)[D]
SPLASH	splash10-08fs-0029400000-d1bceeb756a1f30fa7ec
Source of Spectrum	O-29-601-3
Wiley ID	1397992