For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

View entire compound with spectra: 1 NMR

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID GssbBSodVPk
InChI InChI=1S/C21H22F2N6OS/c1-10-7-14(16(22)23)29-20(25-10)26-17(28-29)18(30)27-19-13(9-24)12-6-5-11(21(2,3)4)8-15(12)31-19/h7,11,16H,5-6,8H2,1-4H3,(H,27,30)
InChIKey MVCMRWNDBQCTAZ-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C21H22F2N6OS
Exact Mass 444.154387 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ktp0Wabddv2
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
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/C21H22F2N6OS/c1-10-7-14(16(22)23)29-20(25-10)26-17(28-29)18(30)27-19-13(9-24)12-6-5-11(21(2,3)4)8-15(12)31-19/h7,11,16H,5-6,8H2,1-4H3,(H,27,30)
InChIKey MVCMRWNDBQCTAZ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1466
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: 9311224; UBI_ID: UBI-001467
Temperature 313 °C