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2-(3-Nitrophenyl)-2,3-dihydro-1H-perimidine

View entire compound with spectra: 2 NMR, and 1 FTIR

2-(3-Nitrophenyl)-2,3-dihydro-1H-perimidine
SpectraBase Compound ID 59xGXlF4QbF
InChI InChI=1S/C17H13N3O2/c21-20(22)13-7-1-6-12(10-13)17-18-14-8-2-4-11-5-3-9-15(19-17)16(11)14/h1-10,17-19H
InChIKey BSUMEMPNPZHKGT-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C17H13N3O2
Exact Mass 291.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DfBXz2g3XA4
Name 2-(3-Nitrophenyl)-2,3-dihydro-1H-perimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.100776669 u
Formula C17H13N3O2
InChI InChI=1S/C17H13N3O2/c21-20(22)13-7-1-6-12(10-13)17-18-14-8-2-4-11-5-3-9-15(19-17)16(11)14/h1-10,17-19H
InChIKey BSUMEMPNPZHKGT-UHFFFAOYSA-N
SMILES C1(N(=O)=O)=CC(=CC=C1)C1NC2=C3C(=CC=C2)C=CC=C3N1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881048