| SpectraBase Spectrum ID |
7adTbJpqEMW |
| Name |
2H-Benz[E]isoindole-2-propanoyl chloride, 1,3,4,5-tetrahydro-1,3-dioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.050570947 u |
| Formula |
C15H12ClNO3 |
| InChI |
InChI=1S/C15H12ClNO3/c16-12(18)7-8-17-14(19)11-6-5-9-3-1-2-4-10(9)13(11)15(17)20/h1-4H,5-8H2 |
| InChIKey |
BZBOOBYTCKRNOQ-UHFFFAOYSA-N |
| SMILES |
C12=CC=CC=C2CCC2=C1C(N(C2=O)CCC(Cl)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.744382 |
![2H-Benz[e]isoindole-2-propanoyl chloride, 1,3,4,5-tetrahydro-1,3-dioxo-](/api/spectrum/7adTbJpqEMW/structure.png?h=300&w=458 "2H-Benz[e]isoindole-2-propanoyl chloride, 1,3,4,5-tetrahydro-1,3-dioxo-")
