| SpectraBase Spectrum ID |
12sVpPWz1ee |
| Name |
4-(1,3-Dioxoisoindol-2-yl)phenyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.068807834 u |
| Formula |
C16H11NO4 |
| InChI |
InChI=1S/C16H11NO4/c1-10(18)21-12-8-6-11(7-9-12)17-15(19)13-4-2-3-5-14(13)16(17)20/h2-9H,1H3 |
| InChIKey |
OJSGKTLCPVZUFA-UHFFFAOYSA-N |
| SMILES |
C12=CC=CC=C2C(=O)N(C1=O)C1=CC=C(OC(C)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867895 |
