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propyl 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 HHXHbXADMp1
InChI InChI=1S/C20H21F2N5O3S/c1-3-8-30-19(29)14-11-6-4-5-7-13(11)31-18(14)25-17(28)16-24-20-23-10(2)9-12(15(21)22)27(20)26-16/h9,15H,3-8H2,1-2H3,(H,25,28)
InChIKey OBRYRFAGIHJZOD-UHFFFAOYSA-N
Mol Weight 449.48 g/mol
Molecular Formula C20H21F2N5O3S
Exact Mass 449.133317 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C65kn6B9pfe
Name propyl 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/C20H21F2N5O3S/c1-3-8-30-19(29)14-11-6-4-5-7-13(11)31-18(14)25-17(28)16-24-20-23-10(2)9-12(15(21)22)27(20)26-16/h9,15H,3-8H2,1-2H3,(H,25,28)
InChIKey OBRYRFAGIHJZOD-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1469
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: 9311867; UBI_ID: UBI-001470
Temperature 313 °C