| SpectraBase Compound ID | 52VJT2ERpVa |
|---|---|
| InChI | InChI=1S/C16H17NO3/c1-4-20-16(19)13-6-5-7-15(9-13)17-11(2)8-14(10-18)12(17)3/h5-10H,4H2,1-3H3 |
| InChIKey | BIIKXXGHWXUQPQ-UHFFFAOYSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C16H17NO3 |
| Exact Mass | 271.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | coCC4pIYmh |
|---|---|
| Name | Ethyl 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.120843408 u |
| Formula | C16H17NO3 |
| InChI | InChI=1S/C16H17NO3/c1-4-20-16(19)13-6-5-7-15(9-13)17-11(2)8-14(10-18)12(17)3/h5-10H,4H2,1-3H3 |
| InChIKey | BIIKXXGHWXUQPQ-UHFFFAOYSA-N |
| SMILES | CCOC(C1=CC=CC(N2C(C)=C(C=O)C=C2C)=C1)=O |