| SpectraBase Compound ID | K9NgR4Sbau8 |
|---|---|
| InChI | InChI=1S/C15H26BrNO3/c1-2-3-4-5-6-11-20-15(19)13-7-9-17(10-8-13)14(18)12-16/h13H,2-12H2,1H3 |
| InChIKey | RVLRHPCALQJWLS-UHFFFAOYSA-N |
| Mol Weight | 348.28 g/mol |
| Molecular Formula | C15H26BrNO3 |
| Exact Mass | 347.109607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8qdASntVKnz |
|---|---|
| Name | Isonipecotic acid, N-(bromoacetyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.109606698 u |
| Formula | C15H26BrNO3 |
| InChI | InChI=1S/C15H26BrNO3/c1-2-3-4-5-6-11-20-15(19)13-7-9-17(10-8-13)14(18)12-16/h13H,2-12H2,1H3 |
| InChIKey | RVLRHPCALQJWLS-UHFFFAOYSA-N |
| Molecular Weight | 348.281 g/mol |
| SMILES | CCCCCCCOC(C1CCN(C(=O)CBr)CC1)=O |