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A,D-(1,3-Pyridine)calix[6]-(5-tert-butyl-2-hydroxybenzene) N-oxide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

A,D-(1,3-Pyridine)calix[6]-(5-tert-butyl-2-hydroxybenzene) N-oxide
SpectraBase Compound ID BiI3KGSjVRi
InChI InChI=1S/C73H89NO7/c1-68(2,3)54-28-42-22-43-29-55(69(4,5)6)33-47(63(43)76)25-52-38-59(73(16,17)18)39-53-27-49-35-57(71(10,11)12)31-45(65(49)78)23-44-30-56(70(7,8)9)34-48(64(44)77)26-51-37-58(72(13,14)15)36-50(24-46(32-54)62(42)75)66(51)80-40-60-20-19-21-61(74(60)79)41-81-67(52)53/h19-21,28-39,75-78H,22-27,40-41H2,1-18H3
InChIKey HXYNVCVGWLFPCQ-UHFFFAOYSA-N
Mol Weight 1092.5 g/mol
Molecular Formula C73H89NO7
Exact Mass 1091.663904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ESC52xBXdI
Name A,D-(1,3-Pyridine)calix[6]-(5-tert-butyl-2-hydroxybenzene) N-oxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1091.663904203 u
Formula C73H89NO7
InChI InChI=1S/C73H89NO7/c1-68(2,3)54-28-42-22-43-29-55(69(4,5)6)33-47(63(43)76)25-52-38-59(73(16,17)18)39-53-27-49-35-57(71(10,11)12)31-45(65(49)78)23-44-30-56(70(7,8)9)34-48(64(44)77)26-51-37-58(72(13,14)15)36-50(24-46(32-54)62(42)75)66(51)80-40-60-20-19-21-61(74(60)79)41-81-67(52)53/h19-21,28-39,75-78H,22-27,40-41H2,1-18H3
InChIKey HXYNVCVGWLFPCQ-UHFFFAOYSA-N
Molecular Weight 1092.515 g/mol
SMILES C1=2[N+](=C(COC=3C=4CC=5C(=C(CC=6C(=C(CC7=C(OC1)C(CC=1C(=C(CC=8C(=C(CC3C=C(C4)C(C)(C)C)C=C(C8)C(C)(C)C)O)C=C(C1)C(C)(C)C)O)=CC(C(C)(C)C)=C7)C=C(C6)C(C)(C)C)O)C=C(C5)C(C)(C)C)O)C=CC2)[O-]