| SpectraBase Compound ID | KQfxz3EqpKV |
|---|---|
| InChI | InChI=1S/C14H16N2O3/c1-8(15-9(2)17)7-11-10-5-3-4-6-12(10)16-13(11)14(18)19/h3-6,8,16H,7H2,1-2H3,(H,15,17)(H,18,19) |
| InChIKey | JCOKHKWSBDTOOB-UHFFFAOYSA-N |
| Mol Weight | 260.29 g/mol |
| Molecular Formula | C14H16N2O3 |
| Exact Mass | 260.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGTuhhnu4Pn |
|---|---|
| Name | 3-(2-Acetamidopropyl)-1H-indole-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.116092380 u |
| Formula | C14H16N2O3 |
| InChI | InChI=1S/C14H16N2O3/c1-8(15-9(2)17)7-11-10-5-3-4-6-12(10)16-13(11)14(18)19/h3-6,8,16H,7H2,1-2H3,(H,15,17)(H,18,19) |
| InChIKey | JCOKHKWSBDTOOB-UHFFFAOYSA-N |
| Molecular Weight | 260.293 g/mol |
| SMILES | CC(=O)NC(CC1=C(NC2=CC=CC=C12)C(O)=O)C |