| SpectraBase Compound ID | 3gu6MfI6hLt |
|---|---|
| InChI | InChI=1S/C13H14BrNO2/c1-9(14)5-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7,9H,4-5,8H2,1H3 |
| InChIKey | BSLLSMVCLJZMHT-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 | 42d9RYjsYPt |
|---|---|
| Name | 4-Bromo-1-phthalimidopentane |
| 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/c1-9(14)5-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7,9H,4-5,8H2,1H3 |
| InChIKey | BSLLSMVCLJZMHT-UHFFFAOYSA-N |
| Molecular Weight | 296.164 g/mol |
| SMILES | C(CCC(C)Br)N1C(=O)C=2C(C1=O)=CC=CC2 |