| SpectraBase Spectrum ID |
1yhqa00yZ1s |
| Name |
butanamide, 2-[[5-(phenylmethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
537.144630629 u |
| Formula |
C27H22F3N5O2S |
| InChI |
InChI=1S/C27H22F3N5O2S/c1-2-22(25(36)31-18-12-14-19(15-13-18)37-27(28,29)30)38-26-32-24-23(33-34-26)20-10-6-7-11-21(20)35(24)16-17-8-4-3-5-9-17/h3-15,22H,2,16H2,1H3,(H,31,36) |
| InChIKey |
VZPCIDVUYKIACC-UHFFFAOYSA-N |
| Molecular Weight |
537.561 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2058 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9226030; Lab Info: L-23,Kulik; Lab Number: BLOK-0000031 |
![butanamide, 2-[[5-(phenylmethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-](/api/spectrum/1yhqa00yZ1s/structure.png?h=300&w=458 "butanamide, 2-[[5-(phenylmethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-")
