CALIX-[6]-TRISIMINE

SpectraBase Compound ID	HWALrQGceoN
InChI	InChI=1S/C96H114N3O6P/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/h22-33,46-60H,34-45H2,1-21H3/b97-58-,98-59+,99-60+
InChIKey	YVFNTNRICSTUBB-VZCVKCDYSA-N Google Search
Mol Weight	1437.0 g/mol
Molecular Formula	C96H114N3O6P
Exact Mass	1435.844525 g/mol

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SpectraBase Spectrum ID	IAmmzH70DYO
Name	CALIX-[6]-TRISIMINE
Compound Number	3
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C96H114N3O6P
InChI	InChI=1S/C96H114N3O6P/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/h22-33,46-60H,34-45H2,1-21H3/b97-58-,98-59+,99-60+
InChIKey	YVFNTNRICSTUBB-VZCVKCDYSA-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	UWVN22513