![A,D-bridged aminocalix[6]arene](/api/spectrum/4Pl61dzt1Eb/structure.png?h=300&w=458 "A,D-bridged aminocalix[6]arene")
| SpectraBase Compound ID | ICJtjsdnrb4 |
|---|---|
| InChI | InChI=1S/C74H91NO6/c1-69(2,3)56-28-44-22-45-29-57(70(4,5)6)33-49(64(45)77)25-54-38-61(74(16,17)18)39-55-27-51-35-59(72(10,11)12)31-47(66(51)79)23-46-30-58(71(7,8)9)34-50(65(46)78)26-53-37-60(73(13,14)15)36-52(24-48(32-56)63(44)76)67(53)80-40-42-20-19-21-43(62(42)75)41-81-68(54)55/h19-21,28-39,76-79H,22-27,40-41,75H2,1-18H3 |
| InChIKey | GIZQLXYHLQVACO-UHFFFAOYSA-N |
| Mol Weight | 1090.5 g/mol |
| Molecular Formula | C74H91NO6 |
| Exact Mass | 1089.68464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Pl61dzt1Eb |
|---|---|
| Name | A,D-Bridged aminocalix[6]arene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1089.684639648 u |
| Formula | C74H91NO6 |
| InChI | InChI=1S/C74H91NO6/c1-69(2,3)56-28-44-22-45-29-57(70(4,5)6)33-49(64(45)77)25-54-38-61(74(16,17)18)39-55-27-51-35-59(72(10,11)12)31-47(66(51)79)23-46-30-58(71(7,8)9)34-50(65(46)78)26-53-37-60(73(13,14)15)36-52(24-48(32-56)63(44)76)67(53)80-40-42-20-19-21-43(62(42)75)41-81-68(54)55/h19-21,28-39,76-79H,22-27,40-41,75H2,1-18H3 |
| InChIKey | GIZQLXYHLQVACO-UHFFFAOYSA-N |
| Molecular Weight | 1090.543 g/mol |
| SMILES | C1=2C3=C(CC=4C(=C(CC=5C(=C(CC=6C(OCC7=C(C(CO3)=CC=C7)N)=C(CC3=C(C(CC7=C(C(C1)=CC(=C7)C(C)(C)C)O)=CC(=C3)C(C)(C)C)O)C=C(C(C)(C)C)C6)C=C(C5)C(C)(C)C)O)C=C(C4)C(C)(C)C)O)C=C(C2)C(C)(C)C |