![2-[5,7-BIS-(PARA-NITROPHENYL)-ADAMANTYL]_TOSYLATE](/api/spectrum/EntPipnLo9x/structure.png?h=300&w=458 "2-[5,7-BIS-(PARA-NITROPHENYL)-ADAMANTYL]_TOSYLATE")
| SpectraBase Compound ID | CMttThBPhEh |
|---|---|
| InChI | InChI=1S/C29H28N2O7S/c1-19-2-12-26(13-3-19)39(36,37)38-27-20-14-28(22-4-8-24(9-5-22)30(32)33)15-21(27)17-29(16-20,18-28)23-6-10-25(11-7-23)31(34)35/h2-13,20-21,27H,14-18H2,1H3/t20-,21-,27-,28-,29+/m1/s1 |
| InChIKey | ILSMMRBXKLZQFG-PYMQJJAYSA-N |
| Mol Weight | 548.61 g/mol |
| Molecular Formula | C29H28N2O7S |
| Exact Mass | 548.161722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EntPipnLo9x |
|---|---|
| Name | 2-[5,7-BIS-(PARA-NITROPHENYL)-ADAMANTYL]_TOSYLATE |
| Compound Number | 12-(NO2)2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H28N2O7S |
| InChI | InChI=1S/C29H28N2O7S/c1-19-2-12-26(13-3-19)39(36,37)38-27-20-14-28(22-4-8-24(9-5-22)30(32)33)15-21(27)17-29(16-20,18-28)23-6-10-25(11-7-23)31(34)35/h2-13,20-21,27H,14-18H2,1H3/t20-,21-,27-,28-,29+/m1/s1 |
| InChIKey | ILSMMRBXKLZQFG-PYMQJJAYSA-N |
| Literature Reference Author | I.H.SONG,W.J.LENOBLE |
| Literature Reference Citation | J.ORG.CHEM.,59,58(1994) |
| Literature Reference DOI | 10.1021/jo00080a012 |
| Molecular Weight | 548.611 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMZ2093 |