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3-Ethyl-4-phenyl-DELTA2-1,2,4-triazolin-5-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

3-Ethyl-4-phenyl-DELTA2-1,2,4-triazolin-5-one
SpectraBase Compound ID DYRF9AnAzKN
InChI InChI=1S/C10H11N3O/c1-2-9-11-12-10(14)13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14)
InChIKey DEPZXPVHVADAEY-UHFFFAOYSA-N
Mol Weight 189.22 g/mol
Molecular Formula C10H11N3O
Exact Mass 189.090212 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9f931fxl2KA
Name 3-Ethyl-4-phenyl-DELTA2-1,2,4-triazolin-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.090211985 u
Formula C10H11N3O
InChI InChI=1S/C10H11N3O/c1-2-9-11-12-10(14)13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14)
InChIKey DEPZXPVHVADAEY-UHFFFAOYSA-N
Molecular Weight 189.218 g/mol
SMILES C=1C=CC=C(C1)N1C(NN=C1CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94278