| SpectraBase Compound ID | 1MwBIlVYjnD |
|---|---|
| InChI | InChI=1S/C18H21NO4/c1-5-22-17(20)14-12(3)19(4)16(18(21)23-6-2)15(14)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3 |
| InChIKey | JMOUFFUEOMOHGD-UHFFFAOYSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C18H21NO4 |
| Exact Mass | 315.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Hm2r96yH3tz |
|---|---|
| Name | Diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate, me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.147058156 u |
| Formula | C18H21NO4 |
| InChI | InChI=1S/C18H21NO4/c1-5-22-17(20)14-12(3)19(4)16(18(21)23-6-2)15(14)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3 |
| InChIKey | JMOUFFUEOMOHGD-UHFFFAOYSA-N |
| SMILES | C=1(N(C(=C(C1C(=O)OCC)C1=CC=CC=C1)C(=O)OCC)C)C |