| SpectraBase Spectrum ID |
5nTTn9WSpO6 |
| Name |
alanine, N-acetyl-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl 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 |
389.102097112 u |
| Formula |
C16H18F3N3O3S |
| InChI |
InChI=1S/C16H18F3N3O3S/c1-9(23)21-15(14(24)25-2,16(17,18)19)22-13-11(8-20)10-6-4-3-5-7-12(10)26-13/h22H,3-7H2,1-2H3,(H,21,23) |
| InChIKey |
NGFLFOXCGLOCIW-UHFFFAOYSA-N |
| Molecular Weight |
389.393 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5131 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9302533; Lab Info: AU; Lab Number: AU-T000615 |
![alanine, N-acetyl-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl ester](/api/spectrum/5nTTn9WSpO6/structure.png?h=300&w=458 "alanine, N-acetyl-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl ester")
