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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
Mol Weight 915.2 g/mol
Molecular Formula C60H70N2O6
Exact Mass 914.523388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BK8ib2xRaF0
Name 5,11,17,32-Tetra-tert-butyl-25,27-dihydroxy-26,28-bis(phenylcarbamoylmethyloxy)calix[4]arene
Alternate Name(s) N-phenyl-2-({5,11,17,23-tetra-tert-butyl-26,28-dihydroxy-27-[(phenylcarbamoyl)methoxy]pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-25-yl}oxy)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)OCC(Nc1ccccc1)=O)cc(c4)C(C)(C)C)O)cc(c3)C(C)(C)C)OCC(Nc1ccccc1)=O
SPLASH splash10-01ot-0000000894-c2b2c3eda97c62e04471
Source of Spectrum O1-36-1324-9
Wiley ID 819920