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CUCURBIT-[5]-URIL

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CUCURBIT-[5]-URIL
SpectraBase Compound ID 65wplvmGT6w
InChI InChI=1S/C30H30N20O10/c51-21-31-1-32-12-14-36(22(32)52)4-40-16-18-44(26(40)56)8-48-20-19-47(29(48)59)7-43-17-15-39(25(43)55)3-35(21)13-11(31)33-2-34(12)24(54)38(14)6-42(16)28(58)46(18)10-50(20)30(60)49(19)9-45(17)27(57)41(15)5-37(13)23(33)53/h11-20H,1-10H2
InChIKey VKSVEHYLRGITRK-UHFFFAOYSA-N
Mol Weight 830.7 g/mol
Molecular Formula C30H30N20O10
Exact Mass 830.245377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgjIdnBekqX
Name CUCURBIT-[5]-URIL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H30N20O10
InChI InChI=1S/C30H30N20O10/c51-21-31-1-32-12-14-36(22(32)52)4-40-16-18-44(26(40)56)8-48-20-19-47(29(48)59)7-43-17-15-39(25(43)55)3-35(21)13-11(31)33-2-34(12)24(54)38(14)6-42(16)28(58)46(18)10-50(20)30(60)49(19)9-45(17)27(57)41(15)5-37(13)23(33)53/h11-20H,1-10H2
InChIKey VKSVEHYLRGITRK-UHFFFAOYSA-N
Literature Reference Author A.DAY,A.P.ARNOLD,R.J.BLANCH,B.SNUSHALL
Literature Reference Citation J.ORG.CHEM.,66,8094(2001)
Literature Reference DOI 10.1021/jo015897c
Molecular Weight 830.696 g/mol
Solvent DCl:D2O=6:15
Source File Reference UWVN26059