| SpectraBase Compound ID | HAYU9otSROz |
|---|---|
| InChI | InChI=1S/C16H15NO6/c1-21-14(18)10-11(15(19)22-2)13(16(20)23-3)17-12(10)9-7-5-4-6-8-9/h4-8,17H,1-3H3 |
| InChIKey | SKXGTWMJBJXTKV-UHFFFAOYSA-N |
| Mol Weight | 317.3 g/mol |
| Molecular Formula | C16H15NO6 |
| Exact Mass | 317.089937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69oGVLKVQ65 |
|---|---|
| Name | 1H-Pyrrole-2,3,4-tricarboxylic acid, 5-phenyl-, trimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.089937201 u |
| Formula | C16H15NO6 |
| InChI | InChI=1S/C16H15NO6/c1-21-14(18)10-11(15(19)22-2)13(16(20)23-3)17-12(10)9-7-5-4-6-8-9/h4-8,17H,1-3H3 |
| InChIKey | SKXGTWMJBJXTKV-UHFFFAOYSA-N |
| Molecular Weight | 317.297 g/mol |
| SMILES | C=1(C(=C(C2=CC=CC=C2)NC1C(=O)OC)C(=O)OC)C(=O)OC |