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

SpectraBase Compound ID	vhY75LfDrE
InChI	InChI=1S/C19H17ClN2O4/c1-18(2)11-25-17(21-18)19(13-5-9-15(10-6-13)22(23)24)16(26-19)12-3-7-14(20)8-4-12/h3-10,16H,11H2,1-2H3/t16-,19+/m0/s1
InChIKey	YJNDKGYGENKYSD-QFBILLFUSA-N Google Search
Mol Weight	372.81 g/mol
Molecular Formula	C19H17ClN2O4
Exact Mass	372.087685 g/mol

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SpectraBase Spectrum ID	1xvJm1iaRCm
Name	2-[(2R,3S)-3-(4-Chlorophenyl)-2-(4-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	372.087684731 u
Formula	C19H17ClN2O4
InChI	InChI=1S/C19H17ClN2O4/c1-18(2)11-25-17(21-18)19(13-5-9-15(10-6-13)22(23)24)16(26-19)12-3-7-14(20)8-4-12/h3-10,16H,11H2,1-2H3/t16-,19+/m0/s1
InChIKey	YJNDKGYGENKYSD-QFBILLFUSA-N
Molecular Weight	372.808 g/mol
SMILES	[C@@]1(O[C@]1(C1=CC=C(C=C1)Cl)[H])(C1=NC(C)(C)CO1)C=1C=CC(N(=O)=O)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.970927