![5,7-Dimethyl-19-oxa-2,5,7,9-tetraazatetracyclo[9.8.0.0(3,8).0(13,18)]nonadeca-1(11),3(8),9,13(18),14,16-hexaene-4,6,12-trione](/api/spectrum/8WWY0htvAv9/structure.png?h=300&w=458 "5,7-Dimethyl-19-oxa-2,5,7,9-tetraazatetracyclo[9.8.0.0(3,8).0(13,18)]nonadeca-1(11),3(8),9,13(18),14,16-hexaene-4,6,12-trione")
| SpectraBase Compound ID | HuWQ32v5Chf |
|---|---|
| InChI | InChI=1S/C16H12N4O4/c1-19-13-11(15(22)20(2)16(19)23)18-14-9(7-17-13)12(21)8-5-3-4-6-10(8)24-14/h3-7,18H,1-2H3 |
| InChIKey | QMZPMMASUKRIRY-UHFFFAOYSA-N |
| Mol Weight | 324.3 g/mol |
| Molecular Formula | C16H12N4O4 |
| Exact Mass | 324.085855 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8WWY0htvAv9 |
|---|---|
| Name | 5,7-Dimethyl-19-oxa-2,5,7,9-tetraazatetracyclo[9.8.0.0(3,8).0(13,18)]nonadeca-1(11),3(8),9,13(18),14,16-hexaene-4,6,12-trione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.085854878 u |
| Formula | C16H12N4O4 |
| InChI | InChI=1S/C16H12N4O4/c1-19-13-11(15(22)20(2)16(19)23)18-14-9(7-17-13)12(21)8-5-3-4-6-10(8)24-14/h3-7,18H,1-2H3 |
| InChIKey | QMZPMMASUKRIRY-UHFFFAOYSA-N |
| Molecular Weight | 324.296 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C=1C=NC=3N(C)C(N(C)C(C3NC1O2)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946252 |