SpectraBase Spectrum ID |
HrvgeDatKUT |
Name |
thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[1-(benzoylamino)-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
499.138876543 u |
Formula |
C22H24F3N3O5S |
InChI |
InChI=1S/C22H24F3N3O5S/c1-4-33-20(31)21(22(23,24)25,26-17(29)13-8-6-5-7-9-13)27-18-16(19(30)32-3)14-10-11-28(2)12-15(14)34-18/h5-9,27H,4,10-12H2,1-3H3,(H,26,29) |
InChIKey |
IPHBNPIONPTRGN-UHFFFAOYSA-N |
Molecular Weight |
499.505 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_9792 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10241229; Lab Info: AU; Lab Number: AU-T000984 |
Temperature |
29.85 °C |