| SpectraBase Spectrum ID |
Kn8xWMqPX8f |
| Name |
N-[3-(Cyanomethyl)-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.085126604 u |
| Formula |
C12H11N3O2 |
| InChI |
InChI=1S/C12H11N3O2/c1-7(16)14-8-2-3-11-10(6-8)9(4-5-13)12(17)15-11/h2-3,6,9H,4H2,1H3,(H,14,16)(H,15,17) |
| InChIKey |
PHUHSVPYODZXAY-UHFFFAOYSA-N |
| Molecular Weight |
229.239 g/mol |
| SMILES |
C1=C2C(=CC(=C1)NC(C)=O)C(CC#N)C(N2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920366 |
![N-[3-(Cyanomethyl)-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide](/api/spectrum/Kn8xWMqPX8f/structure.png?h=300&w=458 "N-[3-(Cyanomethyl)-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide")
