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N-(1,3-benzodioxol-5-ylmethyl)-2-{[6-phenyl-4-(trifluoromethyl)-1,4,5,6-tetrahydro-2-pyrimidinyl]sulfanyl}acetamide
SpectraBase Compound ID CIDUCseHUCI
InChI InChI=1S/C21H20F3N3O3S/c22-21(23,24)18-9-15(14-4-2-1-3-5-14)26-20(27-18)31-11-19(28)25-10-13-6-7-16-17(8-13)30-12-29-16/h1-8,15,18H,9-12H2,(H,25,28)(H,26,27)
InChIKey VDHBYNOLLRKNSO-UHFFFAOYSA-N
Mol Weight 451.46 g/mol
Molecular Formula C21H20F3N3O3S
Exact Mass 451.117747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JF1hhopmKri
Name N-(1,3-benzodioxol-5-ylmethyl)-2-{[6-phenyl-4-(trifluoromethyl)-1,4,5,6-tetrahydro-2-pyrimidinyl]sulfanyl}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/C21H20F3N3O3S/c22-21(23,24)18-9-15(14-4-2-1-3-5-14)26-20(27-18)31-11-19(28)25-10-13-6-7-16-17(8-13)30-12-29-16/h1-8,15,18H,9-12H2,(H,25,28)(H,26,27)
InChIKey VDHBYNOLLRKNSO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7546
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: UZI/1008853; UBI_ID: UBI-007549
Temperature 308 °C