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

*Links on SpectraBase are not permalinks.

sec-butyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

sec-butyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 5myUtplakzA
InChI InChI=1S/C21H23F2N5O3S/c1-4-11(3)31-20(30)15-12-7-5-6-8-14(12)32-19(15)26-18(29)17-25-21-24-10(2)9-13(16(22)23)28(21)27-17/h9,11,16H,4-8H2,1-3H3,(H,26,29)
InChIKey APUCLIPDKHJTEG-UHFFFAOYSA-N
Mol Weight 463.5 g/mol
Molecular Formula C21H23F2N5O3S
Exact Mass 463.148967 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 1g5ZDLupjUj
Name sec-butyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C21H23F2N5O3S/c1-4-11(3)31-20(30)15-12-7-5-6-8-14(12)32-19(15)26-18(29)17-25-21-24-10(2)9-13(16(22)23)28(21)27-17/h9,11,16H,4-8H2,1-3H3,(H,26,29)
InChIKey APUCLIPDKHJTEG-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2089
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: 9312609; UBI_ID: UBI-002090
Temperature 313 °C