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PN3-CALIX-[6]-CRYPTAND
SpectraBase Compound ID HRS2WE8p481
InChI InChI=1S/C96H120N3O6P/c1-91(2,3)76-46-64-40-70-52-79(94(10,11)12)54-72-42-66-48-77(92(4,5)6)50-68(86(66)101-20)44-74-56-81(96(16,17)18)57-75-45-69-51-78(93(7,8)9)49-67(87(69)102-21)43-73-55-80(95(13,14)15)53-71(41-65(47-76)85(64)100-19)89(73)104-38-35-98-59-62-29-23-26-32-83(62)106(82-31-25-22-28-61(82)58-97-34-37-103-88(70)72)84-33-27-24-30-63(84)60-99-36-39-105-90(74)75/h22-33,46-57,97-99H,34-45,58-60H2,1-21H3
InChIKey VJRWFWNROJMKFP-UHFFFAOYSA-N
Mol Weight 1443.0 g/mol
Molecular Formula C96H120N3O6P
Exact Mass 1441.891476 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4J4XeNspS5A
Name PN3-CALIX-[6]-CRYPTAND
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C96H120N3O6P
InChI InChI=1S/C96H120N3O6P/c1-91(2,3)76-46-64-40-70-52-79(94(10,11)12)54-72-42-66-48-77(92(4,5)6)50-68(86(66)101-20)44-74-56-81(96(16,17)18)57-75-45-69-51-78(93(7,8)9)49-67(87(69)102-21)43-73-55-80(95(13,14)15)53-71(41-65(47-76)85(64)100-19)89(73)104-38-35-98-59-62-29-23-26-32-83(62)106(82-31-25-22-28-61(82)58-97-34-37-103-88(70)72)84-33-27-24-30-63(84)60-99-36-39-105-90(74)75/h22-33,46-57,97-99H,34-45,58-60H2,1-21H3
InChIKey VJRWFWNROJMKFP-UHFFFAOYSA-N
Literature Reference Author X.ZENG,N.HUCHER,O.REINAUD,I.JABIN
Literature Reference Citation J.ORG.CHEM.,69,6886(2004)
Literature Reference DOI 10.1021/jo048814b
Solvent CDCl3
Source File Reference UWVN22512