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MAJOR-ROTAMER
SpectraBase Compound ID FgOchYeUjo0
InChI InChI=1S/C25H22Cl3N3O7/c1-14-19(32)31-18-10-6-5-9-16(18)24(11-17(20(33)38-24)29-22(34)37-13-25(26,27)28)21(31)30(14)23(35)36-12-15-7-3-2-4-8-15/h2-10,14,17,21H,11-13H2,1H3,(H,29,34)/t14-,17+,21+,24+/m0/s1
InChIKey FNIWTHYRCLWSCU-MDQFKIDBSA-N
Mol Weight 582.82 g/mol
Molecular Formula C25H22Cl3N3O7
Exact Mass 581.052333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENA79Yt7Ndi
Name MINOR-ROTAMER
Compound Number 43A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22Cl3N3O7
InChI InChI=1S/C25H22Cl3N3O7/c1-14-19(32)31-18-10-6-5-9-16(18)24(11-17(20(33)38-24)29-22(34)37-13-25(26,27)28)21(31)30(14)23(35)36-12-15-7-3-2-4-8-15/h2-10,14,17,21H,11-13H2,1H3,(H,29,34)/t14-,17+,21+,24+/m0/s1
InChIKey FNIWTHYRCLWSCU-MDQFKIDBSA-N
Literature Reference Author B.B.SNIDER,H.ZENG
Literature Reference Citation J.ORG.CHEM.,68,545(2003)
Literature Reference DOI 10.1021/jo0264980
Molecular Weight 582.825 g/mol
Solvent CDCl3
Source File Reference UWVN25408