| SpectraBase Compound ID | 2drVkgv2xSl |
|---|---|
| InChI | InChI=1S/C15H20BrNO3/c1-2-3-4-10-20-14(18)8-9-17-15(19)12-6-5-7-13(16)11-12/h5-7,11H,2-4,8-10H2,1H3,(H,17,19) |
| InChIKey | ZRIKBCGLJWWFTM-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 | 1OLQ7ZeF6PR |
|---|---|
| Name | .beta.-Alanine, N-(3-bromobenzoyl)-, pentyl 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/c1-2-3-4-10-20-14(18)8-9-17-15(19)12-6-5-7-13(16)11-12/h5-7,11H,2-4,8-10H2,1H3,(H,17,19) |
| InChIKey | ZRIKBCGLJWWFTM-UHFFFAOYSA-N |
| Molecular Weight | 342.233 g/mol |
| SMILES | C1(=CC=CC(=C1)C(NCCC(OCCCCC)=O)=O)Br |