| SpectraBase Spectrum ID |
4DBkqdWfK1B |
| Name |
1H-Isoindole-2-acetic acid, 2,3-dihydro-1,3-dioxo-, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.117155007 u |
| Formula |
C23H16N4O4 |
| InChI |
InChI=1S/C23H16N4O4/c1-14-10-11-20(19(12-14)27-24-17-8-4-5-9-18(17)25-27)31-21(28)13-26-22(29)15-6-2-3-7-16(15)23(26)30/h2-12H,13H2,1H3 |
| InChIKey |
BYOQCQRDIFGABI-UHFFFAOYSA-N |
| Molecular Weight |
412.405 g/mol |
| SMILES |
C1=CC=2C(N(CC(OC3=C(N4N=C5C=CC=CC5=N4)C=C(C=C3)C)=O)C(C2C=C1)=O)=O |
