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3-Amino-2-(N,N'-diphenylamidino)-crotonic acid, ethyl ester

View entire compound with spectra: 1 NMR

3-Amino-2-(N,N'-diphenylamidino)-crotonic acid, ethyl ester
SpectraBase Compound ID 1gvjcXkqvdI
InChI InChI=1S/C19H21N3O2/c1-3-24-19(23)17(14(2)20)18(21-15-10-6-4-7-11-15)22-16-12-8-5-9-13-16/h4-13H,3,20H2,1-2H3,(H,21,22)/b17-14-
InChIKey YWADPXFMPIGNKL-VKAVYKQESA-N
Mol Weight 323.4 g/mol
Molecular Formula C19H21N3O2
Exact Mass 323.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBKjBLxDGqu
Name 3-Amino-2-(N,N'-diphenylamidino)-crotonic acid, ethyl ester
CAS Registry Number 67105-14-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H21N3O2
InChI InChI=1S/C19H21N3O2/c1-3-24-19(23)17(14(2)20)18(21-15-10-6-4-7-11-15)22-16-12-8-5-9-13-16/h4-13H,3,20H2,1-2H3,(H,21,22)/b17-14-
InChIKey YWADPXFMPIGNKL-VKAVYKQESA-N
Instrument Name Bruker WP-60
Literature Reference C. Skoetsch, E. Breitmaier, Chem. Ber. 111, 2003 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6