![Methyl (2S)-2-[(4-bromobenzoyl)amino]hexanoate](/api/spectrum/6x4q2FVFV66/structure.png?h=300&w=458 "Methyl (2S)-2-[(4-bromobenzoyl)amino]hexanoate")
| SpectraBase Compound ID | 9qUEveiAwwM |
|---|---|
| InChI | InChI=1S/C14H18BrNO3/c1-3-4-5-12(14(18)19-2)16-13(17)10-6-8-11(15)9-7-10/h6-9,12H,3-5H2,1-2H3,(H,16,17)/t12-/m0/s1 |
| InChIKey | BJOJWEJBZOHBGN-LBPRGKRZSA-N |
| Mol Weight | 328.21 g/mol |
| Molecular Formula | C14H18BrNO3 |
| Exact Mass | 327.047006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6x4q2FVFV66 |
|---|---|
| Name | Methyl (2S)-2-[(4-bromobenzoyl)amino]hexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.047006441 u |
| Formula | C14H18BrNO3 |
| InChI | InChI=1S/C14H18BrNO3/c1-3-4-5-12(14(18)19-2)16-13(17)10-6-8-11(15)9-7-10/h6-9,12H,3-5H2,1-2H3,(H,16,17)/t12-/m0/s1 |
| InChIKey | BJOJWEJBZOHBGN-LBPRGKRZSA-N |
| Molecular Weight | 328.206 g/mol |
| SMILES | C(N[C@](C(=O)OC)(CCCC)[H])(C1=CC=C(C=C1)Br)=O |