| SpectraBase Spectrum ID |
9QxcFmiZhcJ |
| Name |
2,8-Dimethyl-2,3,8,9-tetrahydroanthra[9,1-bc:10,5-B'C')dipyran-2,8-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.121177761 u |
| Formula |
C22H16N2O2 |
| InChI |
InChI=1S/C22H16N2O2/c1-21(11-23)9-13-5-3-8-16-17(13)19(25-21)15-7-4-6-14-10-22(2,12-24)26-20(16)18(14)15/h3-8H,9-10H2,1-2H3 |
| InChIKey |
HRWAIWPSEIOUFM-UHFFFAOYSA-N |
| SMILES |
CC1(CC2=CC=CC3=C2C(=C2C4=C3OC(CC4=CC=C2)(C#N)C)O1)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.972901 |
