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5-CHLORO-3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL)-2-HYDROXY-N-(3-METHYL-BUTYL)-BENZAMIDE
SpectraBase Compound ID Fj6TsPKX4a5
InChI InChI=1S/C21H21ClN2O4/c1-12(2)7-8-23-19(26)17-10-14(22)9-13(18(17)25)11-24-20(27)15-5-3-4-6-16(15)21(24)28/h3-6,9-10,12,25H,7-8,11H2,1-2H3,(H,23,26)
InChIKey ALTAJZBWGGEFOL-UHFFFAOYSA-N
Mol Weight 400.86 g/mol
Molecular Formula C21H21ClN2O4
Exact Mass 400.118985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2Ior36uc3f
Name 5-CHLORO-3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL)-2-HYDROXY-N-(3-METHYL-BUTYL)-BENZAMIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21ClN2O4
InChI InChI=1S/C21H21ClN2O4/c1-12(2)7-8-23-19(26)17-10-14(22)9-13(18(17)25)11-24-20(27)15-5-3-4-6-16(15)21(24)28/h3-6,9-10,12,25H,7-8,11H2,1-2H3,(H,23,26)
InChIKey ALTAJZBWGGEFOL-UHFFFAOYSA-N
Literature Reference Author C.DANG,B.KIRCHKNOPF,M.MASTALIR,H.KAEHLIG,S.FELSINGER,A.ROLLE R,V.B.ARION,H.GSTACH
Literature Reference Citation MOLECULES,20,1686(2015)
Literature Reference DOI 10.3390/molecules20011686
Molecular Weight 400.862 g/mol
Solvent CDCl3
Source File Reference UWPA2059