| SpectraBase Spectrum ID |
CtpSCNpcYPW |
| Name |
benzo[b]thiophene-2-carboxylic acid, 4-[(2-methylpropyl)thio]-6-nitro-3-(1H-pyrrol-1-yl)-, 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 |
404.086449476 u |
| Formula |
C19H20N2O4S2 |
| InChI |
InChI=1S/C19H20N2O4S2/c1-4-25-19(22)18-17(20-7-5-6-8-20)16-14(26-11-12(2)3)9-13(21(23)24)10-15(16)27-18/h5-10,12H,4,11H2,1-3H3 |
| InChIKey |
YWAFPJAHTUOQMN-UHFFFAOYSA-N |
| Molecular Weight |
404.499 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14913 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10320347; Lab Info: DAL; Lab Number: DAL-01010024 |
![benzo[b]thiophene-2-carboxylic acid, 4-[(2-methylpropyl)thio]-6-nitro-3-(1H-pyrrol-1-yl)-, ethyl ester](/api/spectrum/CtpSCNpcYPW/structure.png?h=300&w=458 "benzo[b]thiophene-2-carboxylic acid, 4-[(2-methylpropyl)thio]-6-nitro-3-(1H-pyrrol-1-yl)-, ethyl ester")
