| SpectraBase Compound ID | 9SOwmVIEbbJ |
|---|---|
| InChI | InChI=1S/C13H17NO6/c1-7-8(5-10(15)18-2)9(6-11(16)19-3)12(14-7)13(17)20-4/h14H,5-6H2,1-4H3 |
| InChIKey | VIFBTCHZIGNUSS-UHFFFAOYSA-N |
| Mol Weight | 283.28 g/mol |
| Molecular Formula | C13H17NO6 |
| Exact Mass | 283.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vlANEOIyKx |
|---|---|
| Name | 3,4-bis-Methoxycarbonylmethyl-5-methyl-1H-pyrrole-2-carboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.105587265 u |
| Formula | C13H17NO6 |
| InChI | InChI=1S/C13H17NO6/c1-7-8(5-10(15)18-2)9(6-11(16)19-3)12(14-7)13(17)20-4/h14H,5-6H2,1-4H3 |
| InChIKey | VIFBTCHZIGNUSS-UHFFFAOYSA-N |
| Molecular Weight | 283.280 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C)N1)CC(=O)OC)CC(=O)OC)OC |