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3-(4-Chloro-phenyl)-carbamoyl-2-methyl-1-(4-nitro-anilino)-4,5,6,7-tetrahydro-indole
SpectraBase Compound ID 7qz6z29xMDH
InChI InChI=1S/C22H21ClN4O3/c1-14-21(22(28)24-16-8-6-15(23)7-9-16)19-4-2-3-5-20(19)26(14)25-17-10-12-18(13-11-17)27(29)30/h6-13,25H,2-5H2,1H3,(H,24,28)
InChIKey AXNVKTAVYIQSMV-UHFFFAOYSA-N
Mol Weight 424.89 g/mol
Molecular Formula C22H21ClN4O3
Exact Mass 424.130218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9a41zKLijjW
Name 3-(4-Chloro-phenyl)-carbamoyl-2-methyl-1-(4-nitro-anilino)-4,5,6,7-tetrahydro-indole
CAS Registry Number 88267-56-5
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H21ClN4O3
InChI InChI=1S/C22H21ClN4O3/c1-14-21(22(28)24-16-8-6-15(23)7-9-16)19-4-2-3-5-20(19)26(14)25-17-10-12-18(13-11-17)27(29)30/h6-13,25H,2-5H2,1H3,(H,24,28)
InChIKey AXNVKTAVYIQSMV-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference O. Attanasi, S. Santeusanio, G. Barbarella, Magn. Res. Chem. 23, 383 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3