| SpectraBase Spectrum ID |
AmmsBR5GWDM |
| Name |
3H-thieno[4,3,2-ef][1,4]benzothiazepine-2-carboxylic acid, 4,5-dihydro-8-[(2-methoxy-2-oxoethyl)thio]-4-oxo-, methyl 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 |
382.995586040 u |
| Formula |
C15H13NO5S3 |
| InChI |
InChI=1S/C15H13NO5S3/c1-20-11(18)6-22-7-3-8-12-9(4-7)24-14(15(19)21-2)13(12)16-10(17)5-23-8/h3-4H,5-6H2,1-2H3,(H,16,17) |
| InChIKey |
QNFKTVNXNJECFP-UHFFFAOYSA-N |
| Molecular Weight |
383.451 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15932 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10311816; Lab Info: L-12; Lab Number: ZLOT-0000006 |
![Methyl 8-[(2-methoxy-2-oxoethyl)sulfanyl]-4-oxo-4,5-dihydro-3H-thieno[4,3,2-ef][1,4]benzothiazepine-2-carboxylate](/api/spectrum/AmmsBR5GWDM/structure.png?h=300&w=458 "Methyl 8-[(2-methoxy-2-oxoethyl)sulfanyl]-4-oxo-4,5-dihydro-3H-thieno[4,3,2-ef][1,4]benzothiazepine-2-carboxylate")
