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MAJOR-ROTAMER
SpectraBase Compound ID DantGvkKRLy
InChI InChI=1S/C29H32Cl3N3O8/c1-17(2)13-22-23(36)34-21-12-8-7-11-19(21)28(40,14-20(24(37)41-3)33-26(38)43-16-29(30,31)32)25(34)35(22)27(39)42-15-18-9-5-4-6-10-18/h4-12,17,20,22,25,40H,13-16H2,1-3H3,(H,33,38)/t20-,22-,25-,28+/m0/s1
InChIKey ZVBWKTFRJXWYEW-DVUKNSKVSA-N
Mol Weight 656.9 g/mol
Molecular Formula C29H32Cl3N3O8
Exact Mass 655.125498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdhBGnNnYiw
Name MINOR-ROTAMER
Compound Number 41B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32Cl3N3O8
InChI InChI=1S/C29H32Cl3N3O8/c1-17(2)13-22-23(36)34-21-12-8-7-11-19(21)28(40,14-20(24(37)41-3)33-26(38)43-16-29(30,31)32)25(34)35(22)27(39)42-15-18-9-5-4-6-10-18/h4-12,17,20,22,25,40H,13-16H2,1-3H3,(H,33,38)/t20-,22-,25-,28+/m0/s1
InChIKey ZVBWKTFRJXWYEW-DVUKNSKVSA-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 656.947 g/mol
Solvent CDCl3
Source File Reference UWVN25424