5,11,17,32-Tetra-tert-butyl-25,27-dihydroxy-26,28-bis(phenylcarbamoylmethyloxy)calix[4]arene

SpectraBase Compound ID	FmBvZUNQsHz
InChI	InChI=1S/C60H70N2O6/c1-57(2,3)45-27-37-23-41-31-47(59(7,8)9)33-43(55(41)67-35-51(63)61-49-19-15-13-16-20-49)25-39-29-46(58(4,5)6)30-40(54(39)66)26-44-34-48(60(10,11)12)32-42(24-38(28-45)53(37)65)56(44)68-36-52(64)62-50-21-17-14-18-22-50/h13-22,27-34,65-66H,23-26,35-36H2,1-12H3,(H,61,63)(H,62,64)
InChIKey	UTNSLWQZDJKKEV-UHFFFAOYSA-N Google Search
Mol Weight	915.2 g/mol
Molecular Formula	C60H70N2O6
Exact Mass	914.523388 g/mol

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SpectraBase Spectrum ID	DPBvxNHJh9t
Name	5,11,17,32-Tetra-tert-butyl-25,27-dihydroxy-26,28-bis(phenylcarbamoylmethyloxy)calix[4]arene
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	914.523387976 u
Formula	C60H70N2O6
InChI	InChI=1S/C60H70N2O6/c1-57(2,3)45-27-37-23-41-31-47(59(7,8)9)33-43(55(41)67-35-51(63)61-49-19-15-13-16-20-49)25-39-29-46(58(4,5)6)30-40(54(39)66)26-44-34-48(60(10,11)12)32-42(24-38(28-45)53(37)65)56(44)68-36-52(64)62-50-21-17-14-18-22-50/h13-22,27-34,65-66H,23-26,35-36H2,1-12H3,(H,61,63)(H,62,64)
InChIKey	UTNSLWQZDJKKEV-UHFFFAOYSA-N
Molecular Weight	915.228 g/mol
SMILES	C=12C(=C(CC3=C(C(CC4=C(C(CC=5C(=C(C2)C=C(C5)C(C)(C)C)O)=CC(=C4)C(C)(C)C)OCC(NC2=CC=CC=C2)=O)=CC(=C3)C(C)(C)C)O)C=C(C1)C(C)(C)C)OCC(NC=1C=CC=CC1)=O