| SpectraBase Spectrum ID |
1YAZbEz9To2 |
| Name |
3-thiophenecarboxylic acid, 2-[[(2Z)-3-carboxy-1-oxo-2-propenyl]amino]-4-methyl-5-[(phenylamino)carbonyl]-, ethyl 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 |
402.088557476 u |
| Formula |
C19H18N2O6S |
| InChI |
InChI=1S/C19H18N2O6S/c1-3-27-19(26)15-11(2)16(17(25)20-12-7-5-4-6-8-12)28-18(15)21-13(22)9-10-14(23)24/h4-10H,3H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)/b10-9- |
| InChIKey |
FFCBLBLACIYQJM-KTKRTIGZSA-N |
| Molecular Weight |
402.421 g/mol |
| NMR Offset |
15.0036 |
| NMR Spectrometer Frequency |
250.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_482 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/7094859; Lab Info: DK; Lab Number: DK-bs11051 |
| Temperature |
23.85 °C |
![3-thiophenecarboxylic acid, 2-[[(2Z)-3-carboxy-1-oxo-2-propenyl]amino]-4-methyl-5-[(phenylamino)carbonyl]-, ethyl ester](/api/spectrum/1YAZbEz9To2/structure.png?h=300&w=458 "3-thiophenecarboxylic acid, 2-[[(2Z)-3-carboxy-1-oxo-2-propenyl]amino]-4-methyl-5-[(phenylamino)carbonyl]-, ethyl ester")
