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(2E)-2-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3-ketoisobenzofuran-1-ylidene)acetic acid
SpectraBase Compound ID 8l9wmMPSlGI
InChI InChI=1S/C20H17Cl2NO4/c21-9-11-23(12-10-22)14-7-5-13(6-8-14)17(19(24)25)18-15-3-1-2-4-16(15)20(26)27-18/h1-8H,9-12H2,(H,24,25)/b18-17+
InChIKey BZRBJXSBNZHDFI-ISLYRVAYSA-N
Mol Weight 406.27 g/mol
Molecular Formula C20H17Cl2NO4
Exact Mass 405.053463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ah3kuhiMjZw
Name (2E)-2-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3-ketoisobenzofuran-1-ylidene)acetic acid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17Cl2NO4
InChI InChI=1S/C20H17Cl2NO4/c21-9-11-23(12-10-22)14-7-5-13(6-8-14)17(19(24)25)18-15-3-1-2-4-16(15)20(26)27-18/h1-8H,9-12H2,(H,24,25)/b18-17+
InChIKey BZRBJXSBNZHDFI-ISLYRVAYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 406.265 g/mol
Source File Reference MHKO1812