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YSVQQPXOQCLAHU-UHFFFAOYSA-L

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YSVQQPXOQCLAHU-UHFFFAOYSA-L
SpectraBase Compound ID 98F5Rd5e2ka
InChI InChI=1S/C33H33ClN4.2BrH/c1-35(2)31-16-20-37(21-17-31)24-26-4-8-28(9-5-26)29-10-6-27(7-11-29)25-38-22-18-33(19-23-38)36(3)32-14-12-30(34)13-15-32;;/h4-23H,24-25H2,1-3H3;2*1H/q+2;;/p-2
InChIKey YSVQQPXOQCLAHU-UHFFFAOYSA-L
Mol Weight 680.916 g/mol
Molecular Formula C33H33Br2ClN4
Exact Mass 678.076051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXbHB8j7BSQ
Name YSVQQPXOQCLAHU-UHFFFAOYSA-L
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H33Br2ClN4
InChI InChI=1S/C33H33ClN4.2BrH/c1-35(2)31-16-20-37(21-17-31)24-26-4-8-28(9-5-26)29-10-6-27(7-11-29)25-38-22-18-33(19-23-38)36(3)32-14-12-30(34)13-15-32;;/h4-23H,24-25H2,1-3H3;2*1H/q+2;;/p-2
InChIKey YSVQQPXOQCLAHU-UHFFFAOYSA-L
Literature Reference Author B.RUBIO-RUIZ,A.ESPINOSA,A.E.GUADIX,A.CONEJO-GARCIA
Literature Reference Citation MAGN.RES.CHEM.,52,470(2014)
Literature Reference DOI 10.1002/mrc.4093
Molecular Weight 680.913 g/mol
Solvent DMSO-D6
Source File Reference UWBT15749