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2-Acetylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Acetylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
SpectraBase Compound ID IXenqumqhue
InChI InChI=1S/C12H14F3N3O3/c1-7-4-5-9(16-6-7)18-11(10(20)21-3,12(13,14)15)17-8(2)19/h4-6H,1-3H3,(H,16,18)(H,17,19)
InChIKey NLHBGCHKKKDCBD-UHFFFAOYSA-N
Mol Weight 305.26 g/mol
Molecular Formula C12H14F3N3O3
Exact Mass 305.098726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ApDhQ9loBS
Name methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(5-methyl-2-pyridinyl)amino]propanoate
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/C12H14F3N3O3/c1-7-4-5-9(16-6-7)18-11(10(20)21-3,12(13,14)15)17-8(2)19/h4-6H,1-3H3,(H,16,18)(H,17,19)
InChIKey NLHBGCHKKKDCBD-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_381
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: C27035; Labnumber: SOK-0952; SBI_ID: SBI-000383
Temperature 308 °C