| SpectraBase Spectrum ID |
GMpRv6xCQhs |
| Name |
3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.084457899 u |
| Formula |
C20H13NO4 |
| InChI |
InChI=1S/C20H13NO4/c1-25-20(24)13-7-2-8-14(11-13)21-18(22)15-9-3-5-12-6-4-10-16(17(12)15)19(21)23/h2-11H,1H3 |
| InChIKey |
UKUHYYWAELJIDQ-UHFFFAOYSA-N |
| Molecular Weight |
331.327 g/mol |
| SMILES |
C1=CC=2C(N(C3=CC(=CC=C3)C(OC)=O)C(C=3C2C(=C1)C=CC3)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809193 |
![3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid, methyl ester](/api/spectrum/GMpRv6xCQhs/structure.png?h=300&w=458 "3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid, methyl ester")
