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alanine, 2-[2-(3-chlorophenyl)hydrazino]-3,3,3-trifluoro-N-(2-methylbenzoyl)-, methyl ester
SpectraBase Compound ID 8YrbotktIJF
InChI InChI=1S/C18H17ClF3N3O3/c1-11-6-3-4-9-14(11)15(26)23-17(16(27)28-2,18(20,21)22)25-24-13-8-5-7-12(19)10-13/h3-10,24-25H,1-2H3,(H,23,26)
InChIKey HXDBZZACZUCUJH-UHFFFAOYSA-N
Mol Weight 415.8 g/mol
Molecular Formula C18H17ClF3N3O3
Exact Mass 415.091054 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9vX16NpNJVY
Name alanine, 2-[2-(3-chlorophenyl)hydrazino]-3,3,3-trifluoro-N-(2-methylbenzoyl)-, methyl 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/C18H17ClF3N3O3/c1-11-6-3-4-9-14(11)15(26)23-17(16(27)28-2,18(20,21)22)25-24-13-8-5-7-12(19)10-13/h3-10,24-25H,1-2H3,(H,23,26)
InChIKey HXDBZZACZUCUJH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7972
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/11211361; Labnumber: AU-Z000688