| SpectraBase Compound ID | 2LM3ybjOQG2 |
|---|---|
| InChI | InChI=1S/C17H28BrNO2/c1-5-7-9-19(10-8-6-2)13-14-11-17(21-4)15(18)12-16(14)20-3/h11-12H,5-10,13H2,1-4H3 |
| InChIKey | MADDLKOYJZKHCQ-UHFFFAOYSA-N |
| Mol Weight | 358.32 g/mol |
| Molecular Formula | C17H28BrNO2 |
| Exact Mass | 357.130342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HN2IOr30st6 |
|---|---|
| Name | 1C-B 2bu |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.130342144 u |
| Formula | C17H28BrNO2 |
| InChI | InChI=1S/C17H28BrNO2/c1-5-7-9-19(10-8-6-2)13-14-11-17(21-4)15(18)12-16(14)20-3/h11-12H,5-10,13H2,1-4H3 |
| InChIKey | MADDLKOYJZKHCQ-UHFFFAOYSA-N |
| Molecular Weight | 358.320 g/mol |
| SMILES | C1(=C(C=C(C(=C1)OC)Br)OC)CN(CCCC)CCCC |