| SpectraBase Spectrum ID |
8qCo7mEFcUR |
| Name |
alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-[[(dimethylamino)carbonyl]amino]-3,3,3-trifluoro-, 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 |
406.128646212 u |
| Formula |
C16H21F3N4O3S |
| InChI |
InChI=1S/C16H21F3N4O3S/c1-6-10-9(3)27-12(11(10)8-20)21-15(16(17,18)19,13(24)26-7-2)22-14(25)23(4)5/h21H,6-7H2,1-5H3,(H,22,25) |
| InChIKey |
HHJJXGKDGJKDAG-UHFFFAOYSA-N |
| Molecular Weight |
406.424 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_4350 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9290722; Lab Info: AU; Lab Number: AU-0000453 |
| Temperature |
29.85 °C |
![alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-[[(dimethylamino)carbonyl]amino]-3,3,3-trifluoro-, ethyl ester](/api/spectrum/8qCo7mEFcUR/structure.png?h=300&w=458 "alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-[[(dimethylamino)carbonyl]amino]-3,3,3-trifluoro-, ethyl ester")
