| SpectraBase Spectrum ID |
EvQCq3EN6Up |
| Name |
4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(4-chlorophenyl)acetyl]amino]-5,6,7,8-tetrahydro-, 1-methylethyl 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 |
405.116542508 u |
| Formula |
C21H24ClNO3S |
| InChI |
InChI=1S/C21H24ClNO3S/c1-13(2)26-21(25)19-16-6-4-3-5-7-17(16)27-20(19)23-18(24)12-14-8-10-15(22)11-9-14/h8-11,13H,3-7,12H2,1-2H3,(H,23,24) |
| InChIKey |
HVGWSMDREVWNLT-UHFFFAOYSA-N |
| Molecular Weight |
405.940 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2191 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9233862; Lab Info: PNA; Lab Number: PNA-NA00126 |
![4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(4-chlorophenyl)acetyl]amino]-5,6,7,8-tetrahydro-, 1-methylethyl ester](/api/spectrum/EvQCq3EN6Up/structure.png?h=300&w=458 "4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(4-chlorophenyl)acetyl]amino]-5,6,7,8-tetrahydro-, 1-methylethyl ester")
