| SpectraBase Compound ID | GfGH8J8n5Al |
|---|---|
| InChI | InChI=1S/C15H17NO3/c1-9-13(11-5-7-12(18-3)8-6-11)14(10(2)16-9)15(17)19-4/h5-8,16H,1-4H3 |
| InChIKey | DONPEUZWLJHYNR-UHFFFAOYSA-N |
| Mol Weight | 259.3 g/mol |
| Molecular Formula | C15H17NO3 |
| Exact Mass | 259.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TRfP8fK8rB |
|---|---|
| Name | 4-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.120843408 u |
| Formula | C15H17NO3 |
| InChI | InChI=1S/C15H17NO3/c1-9-13(11-5-7-12(18-3)8-6-11)14(10(2)16-9)15(17)19-4/h5-8,16H,1-4H3 |
| InChIKey | DONPEUZWLJHYNR-UHFFFAOYSA-N |
| Molecular Weight | 259.305 g/mol |
| SMILES | C1(=C(NC(=C1C=1C=CC(=CC1)OC)C)C)C(=O)OC |