| SpectraBase Spectrum ID |
AW10vDJdxBr |
| Name |
2-(2,3-Dihydro-3-oxo-2,2,6-trimethyl-1H-indole-1-yl)-3-methylbut-2-enenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.141913207 u |
| Formula |
C16H18N2O |
| InChI |
InChI=1S/C16H18N2O/c1-10(2)14(9-17)18-13-8-11(3)6-7-12(13)15(19)16(18,4)5/h6-8H,1-5H3 |
| InChIKey |
UAIRYGSJZOCCES-UHFFFAOYSA-N |
| Molecular Weight |
254.333 g/mol |
| SMILES |
C(C(=C(C)C)N1C(C(C=2C=CC(=CC12)C)=O)(C)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960896 |
