| SpectraBase Spectrum ID |
4osVJXj1I8g |
| Name |
benzoic acid, 4-[[(2E)-2-cyano-3-[5-(3-nitrophenyl)-2-furanyl]-1-oxo-2-propenyl]amino]-, butyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.143035402 u |
| Formula |
C25H21N3O6 |
| InChI |
InChI=1S/C25H21N3O6/c1-2-3-13-33-25(30)17-7-9-20(10-8-17)27-24(29)19(16-26)15-22-11-12-23(34-22)18-5-4-6-21(14-18)28(31)32/h4-12,14-15H,2-3,13H2,1H3,(H,27,29)/b19-15+ |
| InChIKey |
LVKHJQGNSSXFSU-XDJHFCHBSA-N |
| Molecular Weight |
459.458 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11981 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10018758; Lab Info: OBU; Lab Number: OBU-0000144 |
![benzoic acid, 4-[[(2E)-2-cyano-3-[5-(3-nitrophenyl)-2-furanyl]-1-oxo-2-propenyl]amino]-, butyl ester](/api/spectrum/4osVJXj1I8g/structure.png?h=300&w=458 "benzoic acid, 4-[[(2E)-2-cyano-3-[5-(3-nitrophenyl)-2-furanyl]-1-oxo-2-propenyl]amino]-, butyl ester")
