For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5,11,17,23-tetrakis(t-Butyl)-25,26,27,28-tetrakis{[N-(propylcarbamoyl)methylcarbamoyl]methoxy}-calix[4]arene
SpectraBase Compound ID 8HFNQRXS8P6
InChI InChI=1S/C72H104N8O12/c1-17-21-73-57(81)37-77-61(85)41-89-65-45-25-47-31-54(70(8,9)10)33-49(66(47)90-42-62(86)78-38-58(82)74-22-18-2)27-51-35-56(72(14,15)16)36-52(68(51)92-44-64(88)80-40-60(84)76-24-20-4)28-50-34-55(71(11,12)13)32-48(26-46(65)30-53(29-45)69(5,6)7)67(50)91-43-63(87)79-39-59(83)75-23-19-3/h29-36H,17-28,37-44H2,1-16H3,(H,73,81)(H,74,82)(H,75,83)(H,76,84)(H,77,85)(H,78,86)(H,79,87)(H,80,88)
InChIKey CTTMASMHOGZNPY-UHFFFAOYSA-N
Mol Weight 1273.7 g/mol
Molecular Formula C72H104N8O12
Exact Mass 1272.777371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID G5hidIiaAsj
Name 5,11,17,23-tetrakis(t-Butyl)-25,26,27,28-tetrakis{[N-(propylcarbamoyl)methylcarbamoyl]methoxy}-calix[4]arene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C72H104N8O12
InChI InChI=1S/C72H104N8O12/c1-17-21-73-57(81)37-77-61(85)41-89-65-45-25-47-31-54(70(8,9)10)33-49(66(47)90-42-62(86)78-38-58(82)74-22-18-2)27-51-35-56(72(14,15)16)36-52(68(51)92-44-64(88)80-40-60(84)76-24-20-4)28-50-34-55(71(11,12)13)32-48(26-46(65)30-53(29-45)69(5,6)7)67(50)91-43-63(87)79-39-59(83)75-23-19-3/h29-36H,17-28,37-44H2,1-16H3,(H,73,81)(H,74,82)(H,75,83)(H,76,84)(H,77,85)(H,78,86)(H,79,87)(H,80,88)
InChIKey CTTMASMHOGZNPY-UHFFFAOYSA-N
Molecular Weight 1273.668 g/mol
SMILES N(C(COc1c2Cc3c(c(Cc4c(OCC(NCC(=O)NCCC)=O)c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)OCC(NCC(=O)NCCC)=O)cc(c4)C(C)(C)C)cc(c3)C(C)(C)C)OCC(NCC(=O)NCCC)=O)=O)CC(=O)NCCC
SPLASH splash10-0a4i-9310001000-13886956200cbdaaaffe
Source of Spectrum G-66-659-6
Synonyms 2-{pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaeneoxy}-N-[(propylcarbamoyl)methyl]acetamide
Wiley ID 871869