| SpectraBase Spectrum ID |
FshAF9F5brj |
| Name |
(1E,3E)-5-Acetoxy-N-isopropyl-1-azahepta-1,3-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
197.141578854 u |
| Formula |
C11H19NO2 |
| InChI |
InChI=1S/C11H19NO2/c1-5-11(14-10(4)13)7-6-8-12-9(2)3/h6-9,11H,5H2,1-4H3/b7-6+,12-8+ |
| InChIKey |
PODRVWMJLFUJJE-ZYUHXDNHSA-N |
| Molecular Weight |
197.278 g/mol |
| SMILES |
C(=O)(OC(\C=C\C=N\C(C)C)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953776 |
