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2,2-Dimethylchroman-4-one (4-nitrophenyl)hydrazone
SpectraBase Compound ID LZe69H3lWQP
InChI InChI=1S/C17H17N3O3/c1-17(2)11-15(14-5-3-4-6-16(14)23-17)19-18-12-7-9-13(10-8-12)20(21)22/h3-10,18H,11H2,1-2H3/b19-15+
InChIKey MMOQCSZDDHXWEU-XDJHFCHBSA-N
Mol Weight 311.34 g/mol
Molecular Formula C17H17N3O3
Exact Mass 311.126991 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BDVkO9sNlzQ
Name 2,2-Dimethylchroman-4-one (4-nitrophenyl)hydrazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.126991416 u
Formula C17H17N3O3
InChI InChI=1S/C17H17N3O3/c1-17(2)11-15(14-5-3-4-6-16(14)23-17)19-18-12-7-9-13(10-8-12)20(21)22/h3-10,18H,11H2,1-2H3/b19-15+
InChIKey MMOQCSZDDHXWEU-XDJHFCHBSA-N
Molecular Weight 311.341 g/mol
SMILES C1(OC2=CC=CC=C2\C(C1)=N\NC1=CC=C(C=C1)[N+]([O-])=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902173