| SpectraBase Compound ID | 6xuZgUe8fGQ |
|---|---|
| InChI | InChI=1S/C18H32BrNO3/c1-2-3-4-5-6-7-8-9-14-23-18(22)16-10-12-20(13-11-16)17(21)15-19/h16H,2-15H2,1H3 |
| InChIKey | ONDPZPVRSJJUPB-UHFFFAOYSA-N |
| Mol Weight | 390.4 g/mol |
| Molecular Formula | C18H32BrNO3 |
| Exact Mass | 389.156557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIQAP6GKsLE |
|---|---|
| Name | Isonipecotic acid, N-(bromoacetyl)-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.156556891 u |
| Formula | C18H32BrNO3 |
| InChI | InChI=1S/C18H32BrNO3/c1-2-3-4-5-6-7-8-9-14-23-18(22)16-10-12-20(13-11-16)17(21)15-19/h16H,2-15H2,1H3 |
| InChIKey | ONDPZPVRSJJUPB-UHFFFAOYSA-N |
| Molecular Weight | 390.362 g/mol |
| SMILES | C(N1CCC(C(OCCCCCCCCCC)=O)CC1)(=O)CBr |