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[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(8H)-one, 3-methyl-7-(2-naphthalenyl)-8-[(phenylmethylene)amino]-
SpectraBase Compound ID 2Sqqj9f6eT3
InChI InChI=1S/C22H16N6O/c1-15-21(29)28-22(25-24-15)27(23-14-16-7-3-2-4-8-16)20(26-28)19-12-11-17-9-5-6-10-18(17)13-19/h2-14H,1H3/b23-14+
InChIKey VWQKFUSEPQLAGS-OEAKJJBVSA-N
Mol Weight 380.41 g/mol
Molecular Formula C22H16N6O
Exact Mass 380.138559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1qs00FcVLHT
Name [1,2,4]Triazolo[5,1-C][1,2,4]triazin-4(8H)-one, 3-methyl-7-(2-naphthalenyl)-8-[(phenylmethylene)amino]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.138559158 u
Formula C22H16N6O
InChI InChI=1S/C22H16N6O/c1-15-21(29)28-22(25-24-15)27(23-14-16-7-3-2-4-8-16)20(26-28)19-12-11-17-9-5-6-10-18(17)13-19/h2-14H,1H3/b23-14+
InChIKey VWQKFUSEPQLAGS-OEAKJJBVSA-N
Molecular Weight 380.411 g/mol
SMILES C=12N(N=C(N2\N=C\C=2C=CC=CC2)C=2C=C3C=CC=CC3=CC2)C(C(=NN1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905466