![N-{(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-furoyl)amino]-2-propenoyl}-beta-alanine](/api/spectrum/55jZXQTrl9N/structure.png?h=300&w=458 "N-{(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-furoyl)amino]-2-propenoyl}-beta-alanine")
| SpectraBase Compound ID | BZcx2YKyj9d |
|---|---|
| InChI | InChI=1S/C18H15BrN2O7/c19-15-4-3-13(28-15)18(25)21-11(17(24)20-6-5-16(22)23)7-10-1-2-12-14(8-10)27-9-26-12/h1-4,7-8H,5-6,9H2,(H,20,24)(H,21,25)(H,22,23)/b11-7- |
| InChIKey | SQGJAJIYOZIPPX-XFFZJAGNSA-N |
| Mol Weight | 451.23 g/mol |
| Molecular Formula | C18H15BrN2O7 |
| Exact Mass | 450.006264 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 55jZXQTrl9N |
|---|---|
| Name | N-{(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-furoyl)amino]-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 | 450.006263824 u |
| Formula | C18H15BrN2O7 |
| InChI | InChI=1S/C18H15BrN2O7/c19-15-4-3-13(28-15)18(25)21-11(17(24)20-6-5-16(22)23)7-10-1-2-12-14(8-10)27-9-26-12/h1-4,7-8H,5-6,9H2,(H,20,24)(H,21,25)(H,22,23)/b11-7- |
| InChIKey | SQGJAJIYOZIPPX-XFFZJAGNSA-N |
| Molecular Weight | 451.229 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1983 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278738 |