| SpectraBase Compound ID | EZ1gSdGoaoX |
|---|---|
| InChI | InChI=1S/C10H11NO3/c1-7(12)9(10(13)14-2)6-8-4-3-5-11-8/h3-6,11H,1-2H3/b9-6+ |
| InChIKey | SKKREPLKNFWPLP-RMKNXTFCSA-N |
| Mol Weight | 193.2 g/mol |
| Molecular Formula | C10H11NO3 |
| Exact Mass | 193.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZbKIOfDJG1 |
|---|---|
| Name | Methyl (E),and (Z)-2-acetyl-3-(pyrrole-2-yl)propenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.073893215 u |
| Formula | C10H11NO3 |
| InChI | InChI=1S/C10H11NO3/c1-7(12)9(10(13)14-2)6-8-4-3-5-11-8/h3-6,11H,1-2H3/b9-6+ |
| InChIKey | SKKREPLKNFWPLP-RMKNXTFCSA-N |
| Molecular Weight | 193.202 g/mol |
| SMILES | C=1(\C=C\(C(=O)OC)C(=O)C)NC=CC1 |