| SpectraBase Compound ID | 9GjGgjY0eEb |
|---|---|
| InChI | InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3 |
| InChIKey | PBWDRTGTQIXVBR-UHFFFAOYSA-N |
| Mol Weight | 296.16 g/mol |
| Molecular Formula | C13H14BrNO2 |
| Exact Mass | 295.020792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MsDqvVpXDB |
|---|---|
| Name | N-boc-5-Bromoindole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.020791693 u |
| Formula | C13H14BrNO2 |
| InChI | InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3 |
| InChIKey | PBWDRTGTQIXVBR-UHFFFAOYSA-N |
| Molecular Weight | 296.164 g/mol |
| SMILES | C(=O)(OC(C)(C)C)N1C=CC2=CC(=CC=C12)Br |