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XUUGDKBZIARKSW-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

XUUGDKBZIARKSW-UHFFFAOYSA-M
SpectraBase Compound ID 5UCAIun93hJ
InChI InChI=1S/C21H17ClN3O2.ClH/c1-12-6-20(24-23-12)25-13(2)7-15-9-18-19(27-11-26-18)10-17(15)21(25)14-4-3-5-16(22)8-14;/h3-10H,11H2,1-2H3,(H,23,24);1H/q+1;/p-1
InChIKey XUUGDKBZIARKSW-UHFFFAOYSA-M
Mol Weight 414.29 g/mol
Molecular Formula C21H17Cl2N3O2
Exact Mass 413.069782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wN1ZPn1z1d
Name XUUGDKBZIARKSW-UHFFFAOYSA-M
Compound Number 8A/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17Cl2N3O2
InChI InChI=1S/C21H17ClN3O2.ClH/c1-12-6-20(24-23-12)25-13(2)7-15-9-18-19(27-11-26-18)10-17(15)21(25)14-4-3-5-16(22)8-14;/h3-10H,11H2,1-2H3,(H,23,24);1H/q+1;/p-1
InChIKey XUUGDKBZIARKSW-UHFFFAOYSA-M
Literature Reference Author I.PRAUDA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,199(2001)
Literature Reference DOI 10.1002/jhet.5570380130
Molecular Weight 414.291 g/mol
Solvent DMSO-D6
Source File Reference UWLU20980