| SpectraBase Spectrum ID |
fxwEFWGDFh |
| Name |
Methyl 6-aza-6-ethylcarboxy-2-oxo-2,5,6,7,8-pentahydro-2H-benzo[B]pyran-3-ylcarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.089937201 u |
| Formula |
C13H15NO6 |
| InChI |
InChI=1S/C13H15NO6/c1-3-19-13(17)14-5-4-10-8(7-14)6-9(11(15)18-2)12(16)20-10/h6H,3-5,7H2,1-2H3 |
| InChIKey |
OZSLYRXGLWBLOK-UHFFFAOYSA-N |
| SMILES |
C=1(C(OC2=C(C1)CN(C(=O)OCC)CC2)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839888 |
![Methyl 6-aza-6-ethylcarboxy-2-oxo-2,5,6,7,8-pentahydro-2H-benzo[b]pyran-3-ylcarboxylate](/api/spectrum/fxwEFWGDFh/structure.png?h=300&w=458 "Methyl 6-aza-6-ethylcarboxy-2-oxo-2,5,6,7,8-pentahydro-2H-benzo[b]pyran-3-ylcarboxylate")
