![N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-(2-furoylamino)-2-propenoyl]-beta-alanine](/api/spectrum/G2NSk4qhTi6/structure.png?h=300&w=458 "N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-(2-furoylamino)-2-propenoyl]-beta-alanine")
| SpectraBase Compound ID | JQlCKIQviWs |
|---|---|
| InChI | InChI=1S/C18H16N2O7/c21-16(22)5-6-19-17(23)12(20-18(24)14-2-1-7-25-14)8-11-3-4-13-15(9-11)27-10-26-13/h1-4,7-9H,5-6,10H2,(H,19,23)(H,20,24)(H,21,22)/b12-8- |
| InChIKey | XJVSHEQNOGTBED-WQLSENKSSA-N |
| Mol Weight | 372.33 g/mol |
| Molecular Formula | C18H16N2O7 |
| Exact Mass | 372.095751 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | G2NSk4qhTi6 |
|---|---|
| Name | N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-(2-furoylamino)-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 | 372.095750856 u |
| Formula | C18H16N2O7 |
| InChI | InChI=1S/C18H16N2O7/c21-16(22)5-6-19-17(23)12(20-18(24)14-2-1-7-25-14)8-11-3-4-13-15(9-11)27-10-26-13/h1-4,7-9H,5-6,10H2,(H,19,23)(H,20,24)(H,21,22)/b12-8- |
| InChIKey | XJVSHEQNOGTBED-WQLSENKSSA-N |
| Molecular Weight | 372.333 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1976 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278731 |