| SpectraBase Compound ID | FAyMLFKstYN |
|---|---|
| InChI | InChI=1S/C15H20BrNO3/c1-2-3-11-20-15(19)10-6-9-14(18)17-13-8-5-4-7-12(13)16/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,18) |
| InChIKey | ZLVCPRSSZOYJII-UHFFFAOYSA-N |
| Mol Weight | 342.23 g/mol |
| Molecular Formula | C15H20BrNO3 |
| Exact Mass | 341.062657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZKqrsinsUX |
|---|---|
| Name | Glutaric acid, monoamide, N-(2-bromophenyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.062656505 u |
| Formula | C15H20BrNO3 |
| InChI | InChI=1S/C15H20BrNO3/c1-2-3-11-20-15(19)10-6-9-14(18)17-13-8-5-4-7-12(13)16/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,18) |
| InChIKey | ZLVCPRSSZOYJII-UHFFFAOYSA-N |
| Molecular Weight | 342.233 g/mol |
| SMILES | C1=CC=C(C(=C1)NC(CCCC(OCCCC)=O)=O)Br |