| SpectraBase Spectrum ID |
LKJon7w3hAY |
| Name |
(1-Methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.079312949 u |
| Formula |
C11H10N2O |
| InChI |
InChI=1S/C11H10N2O/c1-13-10-5-3-2-4-8(10)9(6-7-12)11(13)14/h2-5,9H,6H2,1H3 |
| InChIKey |
VOCZOCBRHGWRMI-UHFFFAOYSA-N |
| Molecular Weight |
186.214 g/mol |
| SMILES |
C(CC1C(N(C2=C1C=CC=C2)C)=O)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806357 |
