| SpectraBase Spectrum ID |
9vMQeuZLuOj |
| Name |
1,4-Diamino 2,3-dicyano anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.064725512 u |
| Formula |
C16H8N4O2 |
| InChI |
InChI=1S/C16H8N4O2/c17-5-9-10(6-18)14(20)12-11(13(9)19)15(21)7-3-1-2-4-8(7)16(12)22/h1-4H,19-20H2 |
| InChIKey |
QUZJFTXRXJQLBH-UHFFFAOYSA-N |
| SMILES |
C=1(C(=C(C(=C2C(=O)C=3C=CC=CC3C(=O)C12)N)C#N)C#N)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863451 |
