2-[(2R,3S)-3-(4-ethylphenyl)-2-(2-nitrophenyl)-2-oxiranyl]-4,4-dimethyl-5H-oxazole

SpectraBase Compound ID	2jz8vKapKSL
InChI	InChI=1S/C21H22N2O4/c1-4-14-9-11-15(12-10-14)18-21(27-18,19-22-20(2,3)13-26-19)16-7-5-6-8-17(16)23(24)25/h5-12,18H,4,13H2,1-3H3/t18-,21+/m0/s1
InChIKey	WRGQAEGMQYWDHX-GHTZIAJQSA-N Google Search
Mol Weight	366.42 g/mol
Molecular Formula	C21H22N2O4
Exact Mass	366.157957 g/mol

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SpectraBase Spectrum ID	4f3VZ35a0ks
Name	2-[(2R,3S)-3-(4-Ethylphenyl)-2-(2-nitrophenyl)-2-oxiranyl]-4,4-dimethyl-5H-oxazole
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	366.157957192 u
Formula	C21H22N2O4
InChI	InChI=1S/C21H22N2O4/c1-4-14-9-11-15(12-10-14)18-21(27-18,19-22-20(2,3)13-26-19)16-7-5-6-8-17(16)23(24)25/h5-12,18H,4,13H2,1-3H3/t18-,21+/m0/s1
InChIKey	WRGQAEGMQYWDHX-GHTZIAJQSA-N
Molecular Weight	366.417 g/mol
SMILES	[C@@]1(O[C@]1(C1=CC=C(C=C1)CC)[H])(C1=NC(C)(C)CO1)C=1C(N(=O)=O)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.955854