![(E)-2-[5-(PARA-NITROPHENYL)-7-PHENYLADAMANTYL]_TOSYLATE](/api/spectrum/5OLq0PUwlnx/structure.png?h=300&w=458 "(E)-2-[5-(PARA-NITROPHENYL)-7-PHENYLADAMANTYL]_TOSYLATE")
| SpectraBase Compound ID | A0s564rvA1Q |
|---|---|
| InChI | InChI=1S/C29H29NO5S/c1-20-7-13-26(14-8-20)36(33,34)35-27-21-15-28(23-5-3-2-4-6-23)16-22(27)18-29(17-21,19-28)24-9-11-25(12-10-24)30(31)32/h2-14,21-22,27H,15-19H2,1H3/t21-,22-,27-,28+,29-/m0/s1 |
| InChIKey | QARZNFDJCVKXLH-IQYBJFGMSA-N |
| Mol Weight | 503.61 g/mol |
| Molecular Formula | C29H29NO5S |
| Exact Mass | 503.176644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5OLq0PUwlnx |
|---|---|
| Name | (E)-2-[5-(PARA-NITROPHENYL)-7-PHENYLADAMANTYL]_TOSYLATE |
| Compound Number | 12-(E)-(H,NO2) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H29NO5S |
| InChI | InChI=1S/C29H29NO5S/c1-20-7-13-26(14-8-20)36(33,34)35-27-21-15-28(23-5-3-2-4-6-23)16-22(27)18-29(17-21,19-28)24-9-11-25(12-10-24)30(31)32/h2-14,21-22,27H,15-19H2,1H3/t21-,22-,27-,28+,29-/m0/s1 |
| InChIKey | QARZNFDJCVKXLH-IQYBJFGMSA-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 | 503.613 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMZ2094 |