| SpectraBase Spectrum ID |
Bo6iATT4FNO |
| Name |
1H-Isoindole-2-propanoic acid, beta-(2-chlorophenyl)-2,3-dihydro-1,3-dioxo- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.045485566 u |
| Formula |
C17H12ClNO4 |
| InChI |
InChI=1S/C17H12ClNO4/c18-13-8-4-3-7-12(13)14(9-15(20)21)19-16(22)10-5-1-2-6-11(10)17(19)23/h1-8,14H,9H2,(H,20,21) |
| InChIKey |
BGSPLXDOZVSYNN-UHFFFAOYSA-N |
| Molecular Weight |
329.739 g/mol |
| SMILES |
OC(CC(C1=C(C=CC=C1)Cl)N1C(C=2C(C1=O)=CC=CC2)=O)=O |
