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alanine, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-[[(dimethylamino)carbonyl]amino]-3,3,3-trifluoro-, ethyl ester

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alanine, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-[[(dimethylamino)carbonyl]amino]-3,3,3-trifluoro-, ethyl ester
SpectraBase Compound ID DWrR3HDi1JW
InChI InChI=1S/C18H23F3N4O3S/c1-4-28-15(26)17(18(19,20)21,24-16(27)25(2)3)23-14-12(10-22)11-8-6-5-7-9-13(11)29-14/h23H,4-9H2,1-3H3,(H,24,27)
InChIKey FXXRDILPKIXWME-UHFFFAOYSA-N
Mol Weight 432.46 g/mol
Molecular Formula C18H23F3N4O3S
Exact Mass 432.144296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5K68WicdKPX
Name alanine, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-[[(dimethylamino)carbonyl]amino]-3,3,3-trifluoro-, ethyl ester
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/C18H23F3N4O3S/c1-4-28-15(26)17(18(19,20)21,24-16(27)25(2)3)23-14-12(10-22)11-8-6-5-7-9-13(11)29-14/h23H,4-9H2,1-3H3,(H,24,27)
InChIKey FXXRDILPKIXWME-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_2168
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: NMR/9290720; Labnumber: AU-0000451