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QKYWCUXSZMWCBV-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

QKYWCUXSZMWCBV-UHFFFAOYSA-M
SpectraBase Compound ID Kp1ziuXBVdB
InChI InChI=1S/C27H22N3.ClH/c1-20-17-27(29-28-20)30-25(22-13-7-3-8-14-22)18-24(21-11-5-2-6-12-21)19-26(30)23-15-9-4-10-16-23;/h2-19H,1H3,(H,28,29);1H/q+1;/p-1
InChIKey QKYWCUXSZMWCBV-UHFFFAOYSA-M
Mol Weight 423.95 g/mol
Molecular Formula C27H22ClN3
Exact Mass 423.150225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRvauoOYaLH
Name QKYWCUXSZMWCBV-UHFFFAOYSA-M
Compound Number 140
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22ClN3
InChI InChI=1S/C27H22N3.ClH/c1-20-17-27(29-28-20)30-25(22-13-7-3-8-14-22)18-24(21-11-5-2-6-12-21)19-26(30)23-15-9-4-10-16-23;/h2-19H,1H3,(H,28,29);1H/q+1;/p-1
InChIKey QKYWCUXSZMWCBV-UHFFFAOYSA-M
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 423.945 g/mol
Solvent DMSO-D6
Source File Reference UWVP1666