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

View entire compound with spectra: 1 NMR

ethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID EP8Cluw5nAX
InChI InChI=1S/C21H23F2N5O3S/c1-4-11-6-7-12-14(9-11)32-19(15(12)20(30)31-5-2)26-18(29)17-25-21-24-10(3)8-13(16(22)23)28(21)27-17/h8,11,16H,4-7,9H2,1-3H3,(H,26,29)
InChIKey ISBRJJVZSHATOQ-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

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SpectraBase Spectrum ID Ihg44FfvgQv
Name ethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-ethyl-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/c1-4-11-6-7-12-14(9-11)32-19(15(12)20(30)31-5-2)26-18(29)17-25-21-24-10(3)8-13(16(22)23)28(21)27-17/h8,11,16H,4-7,9H2,1-3H3,(H,26,29)
InChIKey ISBRJJVZSHATOQ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1471
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: 9312186; UBI_ID: UBI-001472
Temperature 313 °C