| SpectraBase Spectrum ID |
J10yNCRU9Q |
| Name |
Benzoic acid, 4-(octahydro-1,3-dioxo-2H-isoindol-2-yl)-, 4-bromophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.041921060 u |
| Formula |
C21H18BrNO4 |
| InChI |
InChI=1S/C21H18BrNO4/c22-14-7-11-16(12-8-14)27-21(26)13-5-9-15(10-6-13)23-19(24)17-3-1-2-4-18(17)20(23)25/h5-12,17-18H,1-4H2 |
| InChIKey |
GWDYMXIQIXUHKC-UHFFFAOYSA-N |
| Molecular Weight |
428.282 g/mol |
| SMILES |
C1CC2C(N(C(C2CC1)=O)C=1C=CC(C(OC2=CC=C(C=C2)Br)=O)=CC1)=O |
