| SpectraBase Spectrum ID |
1DgHRMZJLuN |
| Name |
3-Pyridineacetic acid, .alpha.-acetyl-1,2,3,4-tetrahydro-5-(methoxycarbonyl)-4,6-dimethyl-2- oxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.121237330 u |
| Formula |
C14H19NO6 |
| InChI |
InChI=1S/C14H19NO6/c1-6-9(13(18)20-4)7(2)15-12(17)10(6)11(8(3)16)14(19)21-5/h6,10-11H,1-5H3,(H,15,17) |
| InChIKey |
PUCYKCBCTQEXQY-UHFFFAOYSA-N |
| SMILES |
C1(=C(NC(C(C1C)C(C(=O)OC)C(=O)C)=O)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932635 |
