| SpectraBase Spectrum ID |
ExhkClVih7w |
| Name |
cyclododeca[b]thiophene-3-carboxylic acid, 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydro-, 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 |
559.102807239 u |
| Formula |
C27H30BrNO5S |
| InChI |
InChI=1S/C27H30BrNO5S/c1-2-33-27(32)23-19-11-9-7-5-3-4-6-8-10-12-22(19)35-25(23)29-24(30)20-16-17-15-18(28)13-14-21(17)34-26(20)31/h13-16H,2-12H2,1H3,(H,29,30) |
| InChIKey |
PXUMAKIKAQMTCI-UHFFFAOYSA-N |
| Molecular Weight |
560.503 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1305 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8014438; Lab Info: AGAF; Lab Number: AGAF-0000475 |
| Temperature |
29.85 °C |
![cyclododeca[b]thiophene-3-carboxylic acid, 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydro-, ethyl ester](/api/spectrum/ExhkClVih7w/structure.png?h=300&w=458 "cyclododeca[b]thiophene-3-carboxylic acid, 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydro-, ethyl ester")
