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3-[4-DI(2-CHLOROETHYL)AMINOPHENYL]-2-CYANO-2-PROPENOIC ACID (2-HYDROXYMETHYL-1,3-DIHYDROXY-2-PROPYL)AMIDE
SpectraBase Compound ID 8Y1q0wwl9vv
InChI InChI=1S/C18H23Cl2N3O4/c19-5-7-23(8-6-20)16-3-1-14(2-4-16)9-15(10-21)17(27)22-18(11-24,12-25)13-26/h1-4,9,24-26H,5-8,11-13H2,(H,22,27)
InChIKey IGYUHHCFWFPJOD-UHFFFAOYSA-N
Mol Weight 416.31 g/mol
Molecular Formula C18H23Cl2N3O4
Exact Mass 415.106562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3S8sixVoBey
Name 3-[4-DI(2-CHLOROETHYL)AMINOPHENYL]-2-CYANO-2-PROPENOIC ACID (2-HYDROXYMETHYL-1,3-DIHYDROXY-2-PROPYL)AMIDE
Comments 41
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H23Cl2N3O4
InChI InChI=1S/C18H23Cl2N3O4/c19-5-7-23(8-6-20)16-3-1-14(2-4-16)9-15(10-21)17(27)22-18(11-24,12-25)13-26/h1-4,9,24-26H,5-8,11-13H2,(H,22,27)
InChIKey IGYUHHCFWFPJOD-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference V.V.BELOGORODSKY, N.R.MULLER, V.A.FILOV, B.A.IVIN (1981) Khim.Farm.Zhurn.(Russ.Lang.): N3, 20-25.
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo