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CARZBDXDNQNVAD-VDGXCZOFSA-N
SpectraBase Compound ID LEzwBBjApNk
InChI InChI=1S/C23H35N5O13/c1-8(31)24-13-4-5-28(23(38)27-13)21-19(37)17(35)15(26-10(3)33)20(41-21)12(7-30)40-22-18(36)14(25-9(2)32)16(34)11(6-29)39-22/h4-5,11-12,14-22,29-30,34-37H,6-7H2,1-3H3,(H,25,32)(H,26,33)(H,24,27,31,38)/t11-,12?,14+,15-,16-,17-,18-,19+,20+,21+,22+/m0/s1
InChIKey CARZBDXDNQNVAD-VDGXCZOFSA-N
Mol Weight 589.6 g/mol
Molecular Formula C23H35N5O13
Exact Mass 589.223136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85LHR97Td8P
Name CARZBDXDNQNVAD-VDGXCZOFSA-N
CAS Registry Number 63018-04-2
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H35N5O13
InChI InChI=1S/C23H35N5O13/c1-8(31)24-13-4-5-28(23(38)27-13)21-19(37)17(35)15(26-10(3)33)20(41-21)12(7-30)40-22-18(36)14(25-9(2)32)16(34)11(6-29)39-22/h4-5,11-12,14-22,29-30,34-37H,6-7H2,1-3H3,(H,25,32)(H,26,33)(H,24,27,31,38)/t11-,12?,14+,15-,16-,17-,18-,19+,20+,21+,22+/m0/s1
InChIKey CARZBDXDNQNVAD-VDGXCZOFSA-N
Literature Reference Author M.VUILHORGNE,S.ENNIFAR,B.C.DAS,J.W.PASCHAL,R.NAGARAJAN,E.W.H AGAMAN,E.WENKERT
Literature Reference Citation J.ORG.CHEM.,42,3289(1977)
Literature Reference DOI 10.1021/jo00440a019
Molecular Weight 589.557 g/mol
Solvent D2O
Source File Reference UWCS13025