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2-[bis(Phenylmethyl)amino]-6-nitro-3-phenyl-3,4-dihydroquinolin-4-ol
SpectraBase Compound ID JzjHfS2JzrZ
InChI InChI=1S/C29H25N3O3/c33-28-25-18-24(32(34)35)16-17-26(25)30-29(27(28)23-14-8-3-9-15-23)31(19-21-10-4-1-5-11-21)20-22-12-6-2-7-13-22/h1-18,27-28,33H,19-20H2
InChIKey PFXQHTIPPQLDJA-UHFFFAOYSA-N
Mol Weight 463.54 g/mol
Molecular Formula C29H25N3O3
Exact Mass 463.189592 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 71hiHv7onNN
Name 2-[bis(Phenylmethyl)amino]-6-nitro-3-phenyl-3,4-dihydroquinolin-4-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.189591674 u
Formula C29H25N3O3
InChI InChI=1S/C29H25N3O3/c33-28-25-18-24(32(34)35)16-17-26(25)30-29(27(28)23-14-8-3-9-15-23)31(19-21-10-4-1-5-11-21)20-22-12-6-2-7-13-22/h1-18,27-28,33H,19-20H2
InChIKey PFXQHTIPPQLDJA-UHFFFAOYSA-N
Molecular Weight 463.537 g/mol
SMILES C1(=NC=2C=CC(N(=O)=O)=CC2C(C1C=1C=CC=CC1)O)N(CC=1C=CC=CC1)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957134