| SpectraBase Spectrum ID |
IUYVCPTOIMA |
| Name |
4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, 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 |
402.124942985 u |
| Formula |
C20H22N2O5S |
| InChI |
InChI=1S/C20H22N2O5S/c1-3-27-20(24)17-14-7-5-4-6-8-16(14)28-19(17)21-18(23)13-9-10-15(22(25)26)12(2)11-13/h9-11H,3-8H2,1-2H3,(H,21,23) |
| InChIKey |
ALVNBXLDTISVCJ-UHFFFAOYSA-N |
| Molecular Weight |
402.465 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1492 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/8267909; Lab Info: ZIU; Lab Number: ZIU/0022677 |
![4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, ethyl ester](/api/spectrum/IUYVCPTOIMA/structure.png?h=300&w=458 "4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, ethyl ester")
