2,8,14,20-Tetrakis(benzylamino)[4]resorcinarene

SpectraBase Compound ID	G5htdU7b5ct
InChI	InChI=1S/C72H76N4O12/c1-81-61-37-62(82-2)54-29-53(61)49(33-69(77)73-41-45-21-13-9-14-22-45)55-30-56(64(84-4)38-63(55)83-3)51(35-71(79)75-43-47-25-17-11-18-26-47)59-32-60(68(88-8)40-67(59)87-7)52(36-72(80)76-44-48-27-19-12-20-28-48)58-31-57(65(85-5)39-66(58)86-6)50(54)34-70(78)74-42-46-23-15-10-16-24-46/h9-32,37-40,49-52H,33-36,41-44H2,1-8H3,(H,73,77)(H,74,78)(H,75,79)(H,76,80)
InChIKey	HTCHVZQHBPYDJF-UHFFFAOYSA-N Google Search
Mol Weight	1189.4 g/mol
Molecular Formula	C72H76N4O12
Exact Mass	1188.545974 g/mol

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SpectraBase Spectrum ID	9ovSj5DDvFZ
Name	2,8,14,20-Tetrakis(benzylamino)[4]resorcinarene
Alternate Name(s)	N-benzyl-2-{8,14,20-tris[(benzylcarbamoyl)methyl]-4,6,10,12,16,18,22,24-octamethoxypentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9(27),10,12,15,17,19(26),21,23-dodecaen-2-yl}acetamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C72H76N4O12
InChI	InChI=1S/C72H76N4O12/c1-81-61-37-62(82-2)54-29-53(61)49(33-69(77)73-41-45-21-13-9-14-22-45)55-30-56(64(84-4)38-63(55)83-3)51(35-71(79)75-43-47-25-17-11-18-26-47)59-32-60(68(88-8)40-67(59)87-7)52(36-72(80)76-44-48-27-19-12-20-28-48)58-31-57(65(85-5)39-66(58)86-6)50(54)34-70(78)74-42-46-23-15-10-16-24-46/h9-32,37-40,49-52H,33-36,41-44H2,1-8H3,(H,73,77)(H,74,78)(H,75,79)(H,76,80)
InChIKey	HTCHVZQHBPYDJF-UHFFFAOYSA-N
Molecular Weight	1189.416 g/mol
SMILES	N(C(CC1c2cc(C(c3cc(C(c4cc(C(CC(NCc5ccccc5)=O)c5cc1c(cc5OC)OC)c(cc4OC)OC)CC(NCc1ccccc1)=O)c(cc3OC)OC)CC(NCc1ccccc1)=O)c(cc2OC)OC)=O)Cc1ccccc1
SPLASH	splash10-00di-3400000091-a7ccbec2fab07547897b
Source of Spectrum	J-62-938-4
Wiley ID	1418692