| SpectraBase Spectrum ID |
61bScOITk1m |
| Name |
Alanine, N-[(2E)-2-[(4-bromobenzoyl)amino]-3-(2-furanyl)-1-oxo-2-propenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.016434586 u |
| Formula |
C17H15BrN2O5 |
| InChI |
InChI=1S/C17H15BrN2O5/c1-10(17(23)24)19-16(22)14(9-13-3-2-8-25-13)20-15(21)11-4-6-12(18)7-5-11/h2-10H,1H3,(H,19,22)(H,20,21)(H,23,24)/b14-9+ |
| InChIKey |
KOFDFWBHYYWRPW-NTEUORMPSA-N |
| Molecular Weight |
407.220 g/mol |
| SMILES |
N(C(\C(=C/C=1OC=CC1)NC(C=1C=CC(=CC1)Br)=O)=O)C(C(=O)O)C |
![alanine, N-[(2E)-2-[(4-bromobenzoyl)amino]-3-(2-furanyl)-1-oxo-2-propenyl]-](/api/spectrum/61bScOITk1m/structure.png?h=300&w=458 "alanine, N-[(2E)-2-[(4-bromobenzoyl)amino]-3-(2-furanyl)-1-oxo-2-propenyl]-")
