| SpectraBase Spectrum ID |
28skfDwzr1L |
| Name |
2-Carbamoyl-2-chloro-A-cyano-3-oxoindan-DELTA1,alpha-acetic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.040734538 u |
| Formula |
C15H11ClN2O4 |
| InChI |
InChI=1S/C15H11ClN2O4/c1-2-22-13(20)10(7-17)11-8-5-3-4-6-9(8)12(19)15(11,16)14(18)21/h3-6H,2H2,1H3,(H2,18,21) |
| InChIKey |
IGUXUWANHXBVPW-UHFFFAOYSA-N |
| SMILES |
NC(C1(C(C=2C=CC=CC2C1=O)=C(C#N)C(OCC)=O)Cl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.885109 |
