| SpectraBase Spectrum ID |
4xZBp3gin7F |
| Name |
Methyl 1-(3-methoxycarbonyl-1-oxoprop-2-en-1-yl)pyridiline-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.095022582 u |
| Formula |
C11H15NO5 |
| InChI |
InChI=1S/C11H15NO5/c1-16-10(14)6-5-9(13)12-7-3-4-8(12)11(15)17-2/h5-6,8H,3-4,7H2,1-2H3/b6-5-/t8-/m0/s1 |
| InChIKey |
BTNNHGRBOPPMIB-SLGIHZDVSA-N |
| Molecular Weight |
241.243 g/mol |
| SMILES |
C(N1[C@](C(=O)OC)(CCC1)[H])(\C=C/C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921364 |
