| SpectraBase Compound ID | KGBkmB69vr5 |
|---|---|
| InChI | InChI=1S/C17H30BrNO3/c1-2-3-4-5-6-7-8-13-22-17(21)15-9-11-19(12-10-15)16(20)14-18/h15H,2-14H2,1H3 |
| InChIKey | IADFLLOBXZRSGR-UHFFFAOYSA-N |
| Mol Weight | 376.34 g/mol |
| Molecular Formula | C17H30BrNO3 |
| Exact Mass | 375.140907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MnuatGweey |
|---|---|
| Name | Isonipecotic acid, N-(bromoacetyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.140906827 u |
| Formula | C17H30BrNO3 |
| InChI | InChI=1S/C17H30BrNO3/c1-2-3-4-5-6-7-8-13-22-17(21)15-9-11-19(12-10-15)16(20)14-18/h15H,2-14H2,1H3 |
| InChIKey | IADFLLOBXZRSGR-UHFFFAOYSA-N |
| Molecular Weight | 376.335 g/mol |
| SMILES | CCCCCCCCCOC(C1CCN(C(=O)CBr)CC1)=O |