| SpectraBase Spectrum ID |
IP00zmCCuGi |
| Name |
Ahcoquinone blue as tb base |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.136827826 u |
| Formula |
C22H18N2O2 |
| InChI |
InChI=1S/C22H18N2O2/c1-13-7-9-14(10-8-13)24-18-12-11-17(23-2)19-20(18)22(26)16-6-4-3-5-15(16)21(19)25/h3-12,23-24H,1-2H3 |
| InChIKey |
ITYXXSSJBOAGAR-UHFFFAOYSA-N |
| SMILES |
N(C=1C=2C(C=3C=CC=CC3C(C2C(=CC1)NC1=CC=C(C=C1)C)=O)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.759696 |
