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CUCURBIT-[7]-URIL

View entire compound with spectra: 1 NMR

CUCURBIT-[7]-URIL
SpectraBase Compound ID 1gdMV3Jf8ca
InChI InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2
InChIKey ZDOBFUIMGBWEAB-UHFFFAOYSA-N
Mol Weight 1163.0 g/mol
Molecular Formula C42H42N28O14
Exact Mass 1162.343528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID d9uzF5wWNc
Name CUCURBIT-[7]-URIL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H42N28O14
InChI InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2
InChIKey ZDOBFUIMGBWEAB-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 1162.975 g/mol
Solvent DCl:D2O=6:15
Source File Reference UWVN26060