![N-{(2Z)-2-[(4-bromobenzoyl)amino]-3-phenyl-2-propenoyl}-beta-alanine](/api/spectrum/4BHqUhAmXVM/structure.png?h=300&w=458 "N-{(2Z)-2-[(4-bromobenzoyl)amino]-3-phenyl-2-propenoyl}-beta-alanine")
| SpectraBase Compound ID | 2GNzX4kTzg8 |
|---|---|
| InChI | InChI=1S/C19H17BrN2O4/c20-15-8-6-14(7-9-15)18(25)22-16(12-13-4-2-1-3-5-13)19(26)21-11-10-17(23)24/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,24)/b16-12- |
| InChIKey | LDMKCCVDAFHYRH-VBKFSLOCSA-N |
| Mol Weight | 417.26 g/mol |
| Molecular Formula | C19H17BrN2O4 |
| Exact Mass | 416.03717 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4BHqUhAmXVM |
|---|---|
| Name | N-{(2Z)-2-[(4-bromobenzoyl)amino]-3-phenyl-2-propenoyl}-beta-alanine |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.037170031 u |
| Formula | C19H17BrN2O4 |
| InChI | InChI=1S/C19H17BrN2O4/c20-15-8-6-14(7-9-15)18(25)22-16(12-13-4-2-1-3-5-13)19(26)21-11-10-17(23)24/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,24)/b16-12- |
| InChIKey | LDMKCCVDAFHYRH-VBKFSLOCSA-N |
| Molecular Weight | 417.259 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1981 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278736 |