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3-Phenyl-1H-[1,2,4]triazolo[5,1-b]quinazoline-2,9-dione

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

3-Phenyl-1H-[1,2,4]triazolo[5,1-b]quinazoline-2,9-dione
SpectraBase Compound ID 12rtmddc725
InChI InChI=1S/C15H10N4O2/c20-13-11-8-4-5-9-12(11)16-14-18(15(21)17-19(13)14)10-6-2-1-3-7-10/h1-9H,(H,17,21)
InChIKey LUWDHBXBTROXQC-UHFFFAOYSA-N
Mol Weight 278.27 g/mol
Molecular Formula C15H10N4O2
Exact Mass 278.080376 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GKKFgvSa1ab
Name 3-Phenyl-1H-[1,2,4]triazolo[5,1-B]quinazoline-2,9-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.080375576 u
Formula C15H10N4O2
InChI InChI=1S/C15H10N4O2/c20-13-11-8-4-5-9-12(11)16-14-18(15(21)17-19(13)14)10-6-2-1-3-7-10/h1-9H,(H,17,21)
InChIKey LUWDHBXBTROXQC-UHFFFAOYSA-N
SMILES C12=NC=3C=CC=CC3C(N2NC(N1C=1C=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802842