| SpectraBase Spectrum ID |
LFltfxpctwe |
| Name |
[3,3-Dimethyl-5-(morpholinomethyl)-6-oxocyclohex-1-enyl]methyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.178358285 u |
| Formula |
C16H25NO4 |
| InChI |
InChI=1S/C16H25NO4/c1-12(18)21-11-14-9-16(2,3)8-13(15(14)19)10-17-4-6-20-7-5-17/h9,13H,4-8,10-11H2,1-3H3 |
| InChIKey |
FFSWYCXUGWIZKA-UHFFFAOYSA-N |
| SMILES |
C(C)(=O)OCC1=CC(CC(C1=O)CN1CCOCC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972321 |
![[3,3-Dimethyl-5-(morpholinomethyl)-6-oxocyclohex-1-enyl]methyl acetate](/api/spectrum/LFltfxpctwe/structure.png?h=300&w=458 "[3,3-Dimethyl-5-(morpholinomethyl)-6-oxocyclohex-1-enyl]methyl acetate")
