| SpectraBase Spectrum ID |
BvjsUPLLmDz |
| Name |
4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(1,3-benzodioxol-5-yloxy)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 |
417.124608633 u |
| Formula |
C21H23NO6S |
| InChI |
InChI=1S/C21H23NO6S/c1-2-25-21(24)19-14-6-4-3-5-7-17(14)29-20(19)22-18(23)11-26-13-8-9-15-16(10-13)28-12-27-15/h8-10H,2-7,11-12H2,1H3,(H,22,23) |
| InChIKey |
HJUMRLCZDGIMBY-UHFFFAOYSA-N |
| Molecular Weight |
417.476 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13999 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10022384; Lab Info: PNA; Lab Number: PNA-1990901 |
![4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(1,3-benzodioxol-5-yloxy)acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester](/api/spectrum/BvjsUPLLmDz/structure.png?h=300&w=458 "4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(1,3-benzodioxol-5-yloxy)acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester")
