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4,5-Dihydroxy-4,5-dimethyl-2-phenyl-3-(2-pyridyl)-1-pyrroline
SpectraBase Compound ID Hq7tRufG98G
InChI InChI=1S/C17H18N2O2/c1-16(20)14(13-10-6-7-11-18-13)15(19-17(16,2)21)12-8-4-3-5-9-12/h3-11,14,20-21H,1-2H3
InChIKey TXWFMLXLJZAVHU-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C17H18N2O2
Exact Mass 282.136828 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kz9K076ugWU
Name 4,5-Dihydroxy-4,5-dimethyl-2-phenyl-3-(2-pyridyl)-1-pyrroline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.136827826 u
Formula C17H18N2O2
InChI InChI=1S/C17H18N2O2/c1-16(20)14(13-10-6-7-11-18-13)15(19-17(16,2)21)12-8-4-3-5-9-12/h3-11,14,20-21H,1-2H3
InChIKey TXWFMLXLJZAVHU-UHFFFAOYSA-N
SMILES C1(=NC(C(C1C1=NC=CC=C1)(O)C)(O)C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861843