Dimethyl (2R,5R)-5-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]dihydrofuran-3,3-dicarboxylate

SpectraBase Compound ID	4a39HKqLReu
InChI	InChI=1S/C22H21F3O5/c1-20(15-7-5-4-6-8-15)13-21(18(26)28-2,19(27)29-3)17(30-20)14-9-11-16(12-10-14)22(23,24)25/h4-12,17H,13H2,1-3H3/t17-,20-/m1/s1
InChIKey	NNJZFBXQEBXZRI-YLJYHZDGSA-N Google Search
Mol Weight	422.4 g/mol
Molecular Formula	C22H21F3O5
Exact Mass	422.134108 g/mol

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SpectraBase Spectrum ID	HYCIRux0jkZ
Name	Dimethyl (2R,5R)-5-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]dihydrofuran-3,3-dicarboxylate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	422.134108260 u
Formula	C22H21F3O5
InChI	InChI=1S/C22H21F3O5/c1-20(15-7-5-4-6-8-15)13-21(18(26)28-2,19(27)29-3)17(30-20)14-9-11-16(12-10-14)22(23,24)25/h4-12,17H,13H2,1-3H3/t17-,20-/m1/s1
InChIKey	NNJZFBXQEBXZRI-YLJYHZDGSA-N
Molecular Weight	422.400 g/mol
SMILES	[C@]1(O[C@](CC1(C(=O)OC)C(=O)OC)(C1=CC=CC=C1)C)(C1=CC=C(C=C1)C(F)(F)F)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.954855