SpectraBase Spectrum ID |
ANiiI7NUm9a |
Name |
2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4,6-difluorophenyl)acetamide |
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/C20H17BrF2N4OS/c1-3-8-27-19(13-6-4-12(2)5-7-13)25-26-20(27)29-11-17(28)24-18-15(21)9-14(22)10-16(18)23/h3-7,9-10H,1,8,11H2,2H3,(H,24,28) |
InChIKey |
PDGVZABWXKLFAQ-UHFFFAOYSA-N |
NMR Offset |
15.449 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_SBI_36227_4429 |
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: D98998; Labnumber: GRES-29783; SBI_ID: SBI-004431 |
Temperature |
308 °C |