| SpectraBase Spectrum ID |
JrsVCr5XeXy |
| Name |
2-thiophenecarboxylic acid, 4-(2-amino-3-cyano-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-4-yl)-2-methoxyphenyl 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 |
422.093642857 u |
| Formula |
C22H18N2O5S |
| InChI |
InChI=1S/C22H18N2O5S/c1-27-17-10-12(7-8-15(17)29-22(26)18-6-3-9-30-18)19-13(11-23)21(24)28-16-5-2-4-14(25)20(16)19/h3,6-10,19H,2,4-5,24H2,1H3 |
| InChIKey |
XNWDEGIRZKNSCU-UHFFFAOYSA-N |
| Molecular Weight |
422.455 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6819 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9313599; Lab Info: VUR; Lab Number: VUR-0000947 |
![Thiophene-2-carboxylic acid, [4-(5,6,7,8-tetrahydro-2-amino-3-cyano-5-oxo-4H-chromen-4-yl)-2-methoxyphenyl] ester](/api/spectrum/JrsVCr5XeXy/structure.png?h=300&w=458 "Thiophene-2-carboxylic acid, [4-(5,6,7,8-tetrahydro-2-amino-3-cyano-5-oxo-4H-chromen-4-yl)-2-methoxyphenyl] ester")
