SpectraBase Spectrum ID |
2OkVTOj2VQr |
Name |
ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate |
Author |
A.V.Yarkov, IPAC, Russia |
Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
InChI |
InChI=1S/C21H19F4N3O3S/c1-2-31-19(30)20(21(23,24)25,27-17(29)12-6-5-7-13(22)10-12)28-18-15(11-26)14-8-3-4-9-16(14)32-18/h5-7,10,28H,2-4,8-9H2,1H3,(H,27,29) |
InChIKey |
CAJBGHRWRGIEOI-UHFFFAOYSA-N |
NMR Offset |
17.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Origin |
1H_ASIOH_7529_2855 |
Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
Sample State |
soluted |
Solvent |
DMSO-d6 |
Source File Reference |
VendorID: NMR/9254023; Labnumber: AU-0000948 |