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2-[4-({[1-(hydroxymethyl)propyl]amino}methyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 1hegCXWGNHm
InChI InChI=1S/C21H25F3N2O4/c1-3-16(12-27)25-11-14-7-8-18(19(9-14)29-2)30-13-20(28)26-17-6-4-5-15(10-17)21(22,23)24/h4-10,16,25,27H,3,11-13H2,1-2H3,(H,26,28)
InChIKey TUKANFPNYZAMKT-UHFFFAOYSA-N
Mol Weight 426.44 g/mol
Molecular Formula C21H25F3N2O4
Exact Mass 426.176642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7m8ShxKoqgy
Name 2-[4-({[1-(hydroxymethyl)propyl]amino}methyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]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/C21H25F3N2O4/c1-3-16(12-27)25-11-14-7-8-18(19(9-14)29-2)30-13-20(28)26-17-6-4-5-15(10-17)21(22,23)24/h4-10,16,25,27H,3,11-13H2,1-2H3,(H,26,28)
InChIKey TUKANFPNYZAMKT-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30865
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: 1727958; SBI_ID: SBI-030869
Temperature 306 °C