| SpectraBase Spectrum ID |
1JpcPD31C75 |
| Name |
(3Z)-3-[1-(Isopropylamino)ethylidene]tetrahydrofuran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
169.110278725 u |
| Formula |
C9H15NO2 |
| InChI |
InChI=1S/C9H15NO2/c1-6(2)10-7(3)8-4-5-12-9(8)11/h6,10H,4-5H2,1-3H3/b8-7- |
| InChIKey |
CYJKQBNUVWGYTH-FPLPWBNLSA-N |
| Molecular Weight |
169.224 g/mol |
| SMILES |
C(N\C(=C/1C(OCC1)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942363 |