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KKHHRBRAJQJYRS-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

KKHHRBRAJQJYRS-UHFFFAOYSA-M
SpectraBase Compound ID 1apIJmNCaGy
InChI InChI=1S/C22H22N3O3.ClH/c1-14-11-16-12-19(27-3)20(28-4)13-18(16)22(25(14)21-9-10-23-24-21)15-5-7-17(26-2)8-6-15;/h5-13H,1-4H3,(H,23,24);1H/q+1;/p-1
InChIKey KKHHRBRAJQJYRS-UHFFFAOYSA-M
Mol Weight 411.89 g/mol
Molecular Formula C22H22ClN3O3
Exact Mass 411.134969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbDlqsS7UEf
Name KKHHRBRAJQJYRS-UHFFFAOYSA-M
Compound Number 8A/3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22ClN3O3
InChI InChI=1S/C22H22N3O3.ClH/c1-14-11-16-12-19(27-3)20(28-4)13-18(16)22(25(14)21-9-10-23-24-21)15-5-7-17(26-2)8-6-15;/h5-13H,1-4H3,(H,23,24);1H/q+1;/p-1
InChIKey KKHHRBRAJQJYRS-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 411.888 g/mol
Solvent DMSO-D6
Source File Reference UWLU20977