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JCPGIKVJXSPKGL-NVYLZTBUSA-N
SpectraBase Compound ID 1fldbtkTogp
InChI InChI=1S/C24H26N4O13/c1-21(2)37-11-8-5-6-9-12-14(40-22(3,4)38-12)17(36-9)28-20(32)26-18(30)24(33,34)23(6,28)41-10-7(5)27(19(31)25-15(10)29)16(35-8)13(11)39-21/h5-6,8-9,11-14,16-17,33-34H,1-4H3,(H,25,29,31)(H,26,30,32)/t5-,6+,8?,9-,11+,12?,13+,14?,16?,17-,23-/m1/s1
InChIKey JCPGIKVJXSPKGL-NVYLZTBUSA-N
Mol Weight 578.49 g/mol
Molecular Formula C24H26N4O13
Exact Mass 578.149637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zrriartLS2
Name JCPGIKVJXSPKGL-NVYLZTBUSA-N
Compound Number 22A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26N4O13
InChI InChI=1S/C24H26N4O13/c1-21(2)37-11-8-5-6-9-12-14(40-22(3,4)38-12)17(36-9)28-20(32)26-18(30)24(33,34)23(6,28)41-10-7(5)27(19(31)25-15(10)29)16(35-8)13(11)39-21/h5-6,8-9,11-14,16-17,33-34H,1-4H3,(H,25,29,31)(H,26,30,32)/t5-,6+,8?,9-,11+,12?,13+,14?,16?,17-,23-/m1/s1
InChIKey JCPGIKVJXSPKGL-NVYLZTBUSA-N
Literature Reference Author I.M.SASSON,R.P.GAGNIER,B.A.OTTER
Literature Reference Citation J.HETCYCL.CHEM.,20,753(1983)
Literature Reference DOI 10.1002/jhet.5570200346
Molecular Weight 578.489 g/mol
Solvent DMSO-D6
Source File Reference UWCS7117