| SpectraBase Compound ID | 9JqzOWAz1e0 |
|---|---|
| InChI | InChI=1S/C16H17NO4/c1-11-14(13(9-17(11)2)15(18)20-3)16(19)21-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3 |
| InChIKey | SHKKWZQKTNPLTC-UHFFFAOYSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | QmwjZPAApz |
|---|---|
| Name | 3-Benzyl 4-methyl 1,2-dimethyl-1H-pyrrole-3,4-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.115758027 u |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c1-11-14(13(9-17(11)2)15(18)20-3)16(19)21-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3 |
| InChIKey | SHKKWZQKTNPLTC-UHFFFAOYSA-N |
| SMILES | C=1(C(=C(C)N(C1)C)C(OCC=1C=CC=CC1)=O)C(=O)OC |