| SpectraBase Spectrum ID |
D3CaksNbePI |
| Name |
benzoic acid, 2-chloro-5-[5-[(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxo-1-propenyl]-2-furanyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.087684731 u |
| Formula |
C23H17ClN2O4 |
| InChI |
InChI=1S/C23H17ClN2O4/c1-13-3-5-17(9-14(13)2)26-22(27)16(12-25)10-18-6-8-21(30-18)15-4-7-20(24)19(11-15)23(28)29/h3-11H,1-2H3,(H,26,27)(H,28,29)/b16-10+ |
| InChIKey |
YCDWMHBQBXKUHW-MHWRWJLKSA-N |
| Molecular Weight |
420.852 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_164 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8059219; Lab Info: LD; Lab Number: LD-1301150 |
| Temperature |
29.85 °C |
![benzoic acid, 2-chloro-5-[5-[(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxo-1-propenyl]-2-furanyl]-](/api/spectrum/D3CaksNbePI/structure.png?h=300&w=458 "benzoic acid, 2-chloro-5-[5-[(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxo-1-propenyl]-2-furanyl]-")
