| SpectraBase Spectrum ID |
81bzMg7v22Q |
| Name |
4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyryl chloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.034920883 u |
| Formula |
C12H10ClNO3 |
| InChI |
InChI=1S/C12H10ClNO3/c13-10(15)6-3-7-14-11(16)8-4-1-2-5-9(8)12(14)17/h1-2,4-5H,3,6-7H2 |
| InChIKey |
STXHPGKNMJVJKL-UHFFFAOYSA-N |
| Molecular Weight |
251.669 g/mol |
| SMILES |
C1=CC2=C(C(N(C2=O)CCCC(=O)Cl)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956205 |
