| SpectraBase Spectrum ID |
JsDGGMMocKp |
| Name |
benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-2-cyano-1-oxo-3-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-2-propenyl]amino]-4,5,6,7-tetrahydro-, |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.117412823 u |
| Formula |
C26H21F3N2O4S |
| InChI |
InChI=1S/C26H21F3N2O4S/c1-2-34-25(33)22-19-8-3-4-9-21(19)36-24(22)31-23(32)16(14-30)13-18-10-11-20(35-18)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-13H,2-4,8-9H2,1H3,(H,31,32)/b16-13- |
| InChIKey |
APCFYQLDRNFPGK-SSZFMOIBSA-N |
| Molecular Weight |
514.519 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9203 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9245026; Lab Info: OBU; Lab Number: OBU-B000003 |
![benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-2-cyano-1-oxo-3-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-2-propenyl]amino]-4,5,6,7-tetrahydro-,](/api/spectrum/JsDGGMMocKp/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-2-cyano-1-oxo-3-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-2-propenyl]amino]-4,5,6,7-tetrahydro-,")
