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

SpectraBase Compound ID	7VZ5il5Ln0j
InChI	InChI=1S/C19H18N2O4/c1-18(2)12-24-17(20-18)19(14-8-10-15(11-9-14)21(22)23)16(25-19)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3/t16-,19+/m0/s1
InChIKey	KQFCGWYJEGAGKR-QFBILLFUSA-N Google Search
Mol Weight	338.36 g/mol
Molecular Formula	C19H18N2O4
Exact Mass	338.126657 g/mol

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SpectraBase Spectrum ID	3y9FgjxEaMl
Name	4,4-Dimethyl-2-[(2R,3S)-2-(4-nitrophenyl)-3-phenyl-2-oxiranyl]-5H-oxazole
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	338.126657064 u
Formula	C19H18N2O4
InChI	InChI=1S/C19H18N2O4/c1-18(2)12-24-17(20-18)19(14-8-10-15(11-9-14)21(22)23)16(25-19)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3/t16-,19+/m0/s1
InChIKey	KQFCGWYJEGAGKR-QFBILLFUSA-N
Molecular Weight	338.363 g/mol
SMILES	[C@@]1(O[C@]1(C1=CC=CC=C1)[H])(C1=NC(C)(C)CO1)C=1C=CC(N(=O)=O)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.881476