| SpectraBase Spectrum ID |
N3Kvm7NcI9 |
| Name |
alanine, N-(chloroacetyl)-2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)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 |
423.063124779 u |
| Formula |
C16H17ClF3N3O3S |
| InChI |
InChI=1S/C16H17ClF3N3O3S/c1-2-26-14(25)15(16(18,19)20,22-12(24)7-17)23-13-10(8-21)9-5-3-4-6-11(9)27-13/h23H,2-7H2,1H3,(H,22,24) |
| InChIKey |
DEUQYZVKCYZUCB-UHFFFAOYSA-N |
| Molecular Weight |
423.838 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12029 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10271806; Lab Info: AU; Lab Number: AU-EC01078 |
![alanine, N-(chloroacetyl)-2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-3,3,3-trifluoro-, ethyl ester](/api/spectrum/N3Kvm7NcI9/structure.png?h=300&w=458 "alanine, N-(chloroacetyl)-2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-3,3,3-trifluoro-, ethyl ester")
