| SpectraBase Compound ID | GFMlwVTqbQ8 |
|---|---|
| InChI | InChI=1S/C13H16BrNO/c1-13(2)10-6-3-4-7-11(10)15(12(13)16)9-5-8-14/h3-4,6-7H,5,8-9H2,1-2H3 |
| InChIKey | CTWRBFZWKLDHBI-UHFFFAOYSA-N |
| Mol Weight | 282.18 g/mol |
| Molecular Formula | C13H16BrNO |
| Exact Mass | 281.041527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3PSQAOZNI |
|---|---|
| Name | N-(3-Bromopropyl)-3,3-dimethylindol-2(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.041527138 u |
| Formula | C13H16BrNO |
| InChI | InChI=1S/C13H16BrNO/c1-13(2)10-6-3-4-7-11(10)15(12(13)16)9-5-8-14/h3-4,6-7H,5,8-9H2,1-2H3 |
| InChIKey | CTWRBFZWKLDHBI-UHFFFAOYSA-N |
| Molecular Weight | 282.181 g/mol |
| SMILES | C1(N(C=2C=CC=CC2C1(C)C)CCCBr)=O |