| SpectraBase Spectrum ID |
HU1yJE0NSo5 |
| Name |
benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-6-bromo-7-[3-(diethylamino)-2-hydroxypropoxy]-, 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 |
486.082406146 u |
| Formula |
C20H27BrN2O5S |
| InChI |
InChI=1S/C20H27BrN2O5S/c1-5-23(6-2)10-13(25)11-28-17-15(21)9-8-14-16(20(26)27-7-3)19(22-12(4)24)29-18(14)17/h8-9,13,25H,5-7,10-11H2,1-4H3,(H,22,24) |
| InChIKey |
NCLPRVKNBJKYKM-UHFFFAOYSA-N |
| Molecular Weight |
487.409 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_3163 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9258564; Lab Info: *1022629*; Lab Number: BAS 1022629 |
| Temperature |
29.85 °C |
![benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-6-bromo-7-[3-(diethylamino)-2-hydroxypropoxy]-, ethyl ester](/api/spectrum/HU1yJE0NSo5/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-6-bromo-7-[3-(diethylamino)-2-hydroxypropoxy]-, ethyl ester")
