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5-Nitro-2,4,6-triphenylhexahydropyrimidine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Nitro-2,4,6-triphenylhexahydropyrimidine
SpectraBase Compound ID 7Ie9Lqfaey6
InChI InChI=1S/C22H21N3O2/c26-25(27)21-19(16-10-4-1-5-11-16)23-22(18-14-8-3-9-15-18)24-20(21)17-12-6-2-7-13-17/h1-15,19-24H
InChIKey PVUVMIISFPJCCU-UHFFFAOYSA-N
Mol Weight 359.43 g/mol
Molecular Formula C22H21N3O2
Exact Mass 359.163377 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G1oXiSyItDl
Name 5-Nitro-2,4,6-triphenylhexahydropyrimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.163376926 u
Formula C22H21N3O2
InChI InChI=1S/C22H21N3O2/c26-25(27)21-19(16-10-4-1-5-11-16)23-22(18-14-8-3-9-15-18)24-20(21)17-12-6-2-7-13-17/h1-15,19-24H
InChIKey PVUVMIISFPJCCU-UHFFFAOYSA-N
Molecular Weight 359.429 g/mol
SMILES C1(NC(C(C(N1)C=1C=CC=CC1)N(=O)=O)C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806387