| SpectraBase Spectrum ID |
624SvGtkgLX |
| Name |
Dimethyl 2-[(3S,6S)-1-acetyl-6-(2-methoxy-2-oxoethyl)-1,2,3,6-tetrahydropyridin-3-yl]malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.131802013 u |
| Formula |
C15H21NO7 |
| InChI |
InChI=1S/C15H21NO7/c1-9(17)16-8-10(5-6-11(16)7-12(18)21-2)13(14(19)22-3)15(20)23-4/h5-6,10-11,13H,7-8H2,1-4H3 |
| InChIKey |
TUODGVGAUBQNRA-UHFFFAOYSA-N |
| Molecular Weight |
327.333 g/mol |
| SMILES |
C(C(C(=O)OC)C1CN(C(CC(=O)OC)C=C1)C(=O)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904141 |
![Dimethyl 2-[(3S,6S)-1-acetyl-6-(2-methoxy-2-oxoethyl)-1,2,3,6-tetrahydropyridin-3-yl]malonate](/api/spectrum/624SvGtkgLX/structure.png?h=300&w=458 "Dimethyl 2-[(3S,6S)-1-acetyl-6-(2-methoxy-2-oxoethyl)-1,2,3,6-tetrahydropyridin-3-yl]malonate")
