| SpectraBase Spectrum ID |
1wayXDZvQ3v |
| Name |
benzo[b]thiophene-2-carboxylic acid, 4-[(2-methylpropyl)thio]-6-nitro-3-(1H-pyrrol-1-yl)-, 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 |
390.070799412 u |
| Formula |
C18H18N2O4S2 |
| InChI |
InChI=1S/C18H18N2O4S2/c1-11(2)10-25-13-8-12(20(22)23)9-14-15(13)16(19-6-4-5-7-19)17(26-14)18(21)24-3/h4-9,11H,10H2,1-3H3 |
| InChIKey |
IRMAWXYCCJBUPR-UHFFFAOYSA-N |
| Molecular Weight |
390.472 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14912 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10320346; Lab Info: DAL; Lab Number: DAL-01010023 |
![benzo[b]thiophene-2-carboxylic acid, 4-[(2-methylpropyl)thio]-6-nitro-3-(1H-pyrrol-1-yl)-, methyl ester](/api/spectrum/1wayXDZvQ3v/structure.png?h=300&w=458 "benzo[b]thiophene-2-carboxylic acid, 4-[(2-methylpropyl)thio]-6-nitro-3-(1H-pyrrol-1-yl)-, methyl ester")
