| SpectraBase Spectrum ID |
7S0FUThaly6 |
| Name |
2-butenoic acid, 4-[[2-[[2-[[(2Z)-3-carboxy-1-oxo-2-propenyl]amino]phenyl]ethynyl]phenyl]amino]-4-oxo-, (2Z)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.100836237 u |
| Formula |
C22H16N2O6 |
| InChI |
InChI=1S/C22H16N2O6/c25-19(11-13-21(27)28)23-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)24-20(26)12-14-22(29)30/h1-8,11-14H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/b13-11-,14-12- |
| InChIKey |
CFCLGBXKXAJTNN-XSYHWHKQSA-N |
| Molecular Weight |
404.378 g/mol |
| NMR Offset |
18.4928 |
| NMR Spectrometer Frequency |
250.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1134 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/7074792; Lab Info: RAI; Lab Number: RAI-0000333 |
| Temperature |
23.85 °C |
![2-butenoic acid, 4-[[2-[[2-[[(2Z)-3-carboxy-1-oxo-2-propenyl]amino]phenyl]ethynyl]phenyl]amino]-4-oxo-, (2Z)-](/api/spectrum/7S0FUThaly6/structure.png?h=300&w=458 "2-butenoic acid, 4-[[2-[[2-[[(2Z)-3-carboxy-1-oxo-2-propenyl]amino]phenyl]ethynyl]phenyl]amino]-4-oxo-, (2Z)-")
