| SpectraBase Spectrum ID |
AlEAUnQB5nR |
| Name |
1-Ethyl-3-(hexahydroazepin-2-ylidene)-2-indolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.157563271 u |
| Formula |
C16H20N2O |
| InChI |
InChI=1S/C16H20N2O/c1-2-18-14-10-6-5-8-12(14)15(16(18)19)13-9-4-3-7-11-17-13/h5-6,8,10,17H,2-4,7,9,11H2,1H3/b15-13- |
| InChIKey |
DHSZVMHHBWRPFO-SQFISAMPSA-N |
| Molecular Weight |
256.349 g/mol |
| SMILES |
C1(\C(C2=C(N1CC)C=CC=C2)=C\1NCCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87286 |
