| SpectraBase Spectrum ID |
24QvaBxht9D |
| Name |
4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(3-bromophenoxy)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 |
451.045292362 u |
| Formula |
C20H22BrNO4S |
| InChI |
InChI=1S/C20H22BrNO4S/c1-2-25-20(24)18-15-9-4-3-5-10-16(15)27-19(18)22-17(23)12-26-14-8-6-7-13(21)11-14/h6-8,11H,2-5,9-10,12H2,1H3,(H,22,23) |
| InChIKey |
OBVASXARULQIKO-UHFFFAOYSA-N |
| Molecular Weight |
452.363 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_4364 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9311221; Lab Info: PNA; Lab Number: PNA-0000729 |
![4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(3-bromophenoxy)acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester](/api/spectrum/24QvaBxht9D/structure.png?h=300&w=458 "4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(3-bromophenoxy)acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester")
