| SpectraBase Spectrum ID |
1vrwl37ZDpx |
| Name |
benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-nitro-4-[(phenylmethyl)thio]-, 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 |
416.050063966 u |
| Formula |
C19H16N2O5S2 |
| InChI |
InChI=1S/C19H16N2O5S2/c1-11(22)20-17-16-14(27-10-12-6-4-3-5-7-12)8-13(21(24)25)9-15(16)28-18(17)19(23)26-2/h3-9H,10H2,1-2H3,(H,20,22) |
| InChIKey |
DWZMXDXGGCCWBO-UHFFFAOYSA-N |
| Molecular Weight |
416.466 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_16503 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10320358; Lab Info: DAL; Lab Number: DAL-01010035 |
