| SpectraBase Spectrum ID |
2kkiwg0V2mi |
| Name |
2,5-Diamino-3-methoxy-6-[(E)-3-phenylacryloyl]-p-benzoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.095356935 u |
| Formula |
C16H14N2O4 |
| InChI |
InChI=1S/C16H14N2O4/c1-22-16-13(18)14(20)11(12(17)15(16)21)10(19)8-7-9-5-3-2-4-6-9/h2-8H,17-18H2,1H3/b8-7+ |
| InChIKey |
YYQRUZVZCQSYCZ-BQYQJAHWSA-N |
| Molecular Weight |
298.298 g/mol |
| SMILES |
C1(=O)C(=C(C(C(=C1N)OC)=O)N)C(\C=C\C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942928 |
![2,5-diamino-3-methoxy-6-[(E)-3-phenylacryloyl]-p-benzoquinone](/api/spectrum/2kkiwg0V2mi/structure.png?h=300&w=458 "2,5-diamino-3-methoxy-6-[(E)-3-phenylacryloyl]-p-benzoquinone")
