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

*Links on SpectraBase are not permalinks.
5,11,17,23,29,35-Hexa(t-butyl)-37,38,40,41-tetraethoxy-39,42-[(2',6'-(4"-methoxypyridine)diyl)-bis(methyleneoxy)]calix[6]arene
SpectraBase Compound ID 9u9xEZZTEgd
InChI InChI=1S/C82H107NO7/c1-24-85-71-50-28-51-35-63(78(8,9)10)39-55(72(51)86-25-2)31-60-44-67(82(20,21)22)45-61-33-57-41-65(80(14,15)16)37-53(74(57)88-27-4)29-52-36-64(79(11,12)13)40-56(73(52)87-26-3)32-59-43-66(81(17,18)19)42-58(30-54(71)38-62(34-50)77(5,6)7)75(59)89-48-68-46-70(84-23)47-69(83-68)49-90-76(60)61/h34-47H,24-33,48-49H2,1-23H3
InChIKey QUIZVTLGDQPTBJ-UHFFFAOYSA-N
Mol Weight 1218.8 g/mol
Molecular Formula C82H107NO7
Exact Mass 1217.804755 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 AoN23lBXhnt
Name 5,11,17,23,29,35-Hexa(t-butyl)-37,38,40,41-tetraethoxy-39,42-[(2',6'-(4"-methoxypyridine)diyl)-bis(methyleneoxy)]calix[6]arene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C82H107NO7
InChI InChI=1S/C82H107NO7/c1-24-85-71-50-28-51-35-63(78(8,9)10)39-55(72(51)86-25-2)31-60-44-67(82(20,21)22)45-61-33-57-41-65(80(14,15)16)37-53(74(57)88-27-4)29-52-36-64(79(11,12)13)40-56(73(52)87-26-3)32-59-43-66(81(17,18)19)42-58(30-54(71)38-62(34-50)77(5,6)7)75(59)89-48-68-46-70(84-23)47-69(83-68)49-90-76(60)61/h34-47H,24-33,48-49H2,1-23H3
InChIKey QUIZVTLGDQPTBJ-UHFFFAOYSA-N
Molecular Weight 1218.758 g/mol
SMILES c12c3c(Cc4c(c(Cc5c(c(Cc6c(c(cc(C(C)(C)C)c6)Cc6c(c(Cc7c(c(C1)cc(c7)C(C)(C)C)OCC)cc(c6)C(C)(C)C)OCC)OCc1nc(CO3)cc(c1)OC)cc(c5)C(C)(C)C)OCC)cc(c4)C(C)(C)C)OCC)cc(c2)C(C)(C)C
SPLASH splash10-01b9-0590000000-e4d0780d37d05b1c9f2d
Source of Spectrum U-1996-1371-3
Wiley ID 768826