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2-(4,5-dihydro-1H-imidazol-2-yl)-3,3-bis(phenylmethyl)-2-oxiranecarbonitrile
SpectraBase Compound ID IwPoNyodDqb
InChI InChI=1S/C20H19N3O/c21-15-20(18-22-11-12-23-18)19(24-20,13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10H,11-14H2,(H,22,23)
InChIKey OSAAEDOYFMYGED-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C20H19N3O
Exact Mass 317.152812 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dy9EVUylGGv
Name 2-(4,5-Dihydro-1H-imidazol-2-yl)-3,3-bis(phenylmethyl)-2-oxiranecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.152812243 u
Formula C20H19N3O
InChI InChI=1S/C20H19N3O/c21-15-20(18-22-11-12-23-18)19(24-20,13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10H,11-14H2,(H,22,23)
InChIKey OSAAEDOYFMYGED-UHFFFAOYSA-N
Molecular Weight 317.392 g/mol
SMILES C1(C(CC2=CC=CC=C2)(CC=2C=CC=CC2)O1)(C1=NCCN1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963795