| SpectraBase Compound ID | 7KSWXGWil7K |
|---|---|
| InChI | InChI=1S/C12H13NO/c1-3-11(14)12-8(2)9-6-4-5-7-10(9)13-12/h4-7,13H,3H2,1-2H3 |
| InChIKey | GFIZJNAOFLSTGH-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1VqBDApE7h |
|---|---|
| Name | 1H-Indole, 3-methyl-2-propanoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.099714042 u |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c1-3-11(14)12-8(2)9-6-4-5-7-10(9)13-12/h4-7,13H,3H2,1-2H3 |
| InChIKey | GFIZJNAOFLSTGH-UHFFFAOYSA-N |
| Molecular Weight | 187.242 g/mol |
| SMILES | C(=O)(C1=C(C2=C(C=CC=C2)N1)C)CC |