| SpectraBase Spectrum ID |
JVJbHewI1o1 |
| Name |
4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(2,3-dimethylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-, 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 |
401.166079523 u |
| Formula |
C22H27NO4S |
| InChI |
InChI=1S/C22H27NO4S/c1-4-26-22(25)20-16-10-6-5-7-12-18(16)28-21(20)23-19(24)13-27-17-11-8-9-14(2)15(17)3/h8-9,11H,4-7,10,12-13H2,1-3H3,(H,23,24) |
| InChIKey |
QJXKZQDGCOEWKF-UHFFFAOYSA-N |
| Molecular Weight |
401.521 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13622 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10022074; Lab Info: PNA; Lab Number: PNA-1990877 |
![4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(2,3-dimethylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester](/api/spectrum/JVJbHewI1o1/structure.png?h=300&w=458 "4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(2,3-dimethylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester")
