| SpectraBase Spectrum ID |
KTP05LvNMXY |
| Name |
alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(2-furanylcarbonyl)amino]-, 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 |
441.097011731 u |
| Formula |
C19H18F3N3O4S |
| InChI |
InChI=1S/C19H18F3N3O4S/c1-2-28-17(27)18(19(20,21)22,24-15(26)13-7-5-9-29-13)25-16-12(10-23)11-6-3-4-8-14(11)30-16/h5,7,9,25H,2-4,6,8H2,1H3,(H,24,26) |
| InChIKey |
RMHPGWUWSKEMFO-UHFFFAOYSA-N |
| Molecular Weight |
441.425 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2300 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9233245; Lab Info: AU; Lab Number: AU-0000670 |
| Temperature |
29.85 °C |
![alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(2-furanylcarbonyl)amino]-, ethyl ester](/api/spectrum/KTP05LvNMXY/structure.png?h=300&w=458 "alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(2-furanylcarbonyl)amino]-, ethyl ester")
