| SpectraBase Compound ID | Illt0D4SiAb |
|---|---|
| InChI | InChI=1S/C72H104N2O23/c1-59(2,3)53-49-55(75)87-37-25-33-83-43-29-32-48(46(41-43)74(81)82)86-36-28-40-90-58(78)52-71(65(19,20)21)94-69(63(13,14)15)51(70(96-71,64(16,17)18)97-72(52,95-69)66(22,23)24)57(77)89-39-26-34-84-44-30-31-47(45(42-44)73(79)80)85-35-27-38-88-56(76)50-54(60(4,5)6)92-67(49,61(7,8)9)93-68(50,91-53)62(10,11)12/h29-32,41-42,51-52H,25-28,33-40H2,1-24H3/t51-,52-,67-,68-,69-,70+,71-,72+/m1/s1 |
| InChIKey | JHJZMLAWLIGIJS-MOXYFCAWSA-N |
| Mol Weight | 1365.6 g/mol |
| Molecular Formula | C72H104N2O23 |
| Exact Mass | 1364.702988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LL2karSkyYy |
|---|---|
| Name | TETRAOXA-ADAMANTANE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H104N2O23 |
| InChI | InChI=1S/C72H104N2O23/c1-59(2,3)53-49-55(75)87-37-25-33-83-43-29-32-48(46(41-43)74(81)82)86-36-28-40-90-58(78)52-71(65(19,20)21)94-69(63(13,14)15)51(70(96-71,64(16,17)18)97-72(52,95-69)66(22,23)24)57(77)89-39-26-34-84-44-30-31-47(45(42-44)73(79)80)85-35-27-38-88-56(76)50-54(60(4,5)6)92-67(49,61(7,8)9)93-68(50,91-53)62(10,11)12/h29-32,41-42,51-52H,25-28,33-40H2,1-24H3/t51-,52-,67-,68-,69-,70+,71-,72+/m1/s1 |
| InChIKey | JHJZMLAWLIGIJS-MOXYFCAWSA-N |
| Literature Reference Author | S.LEBER,G.KOLLENZ,C.WENTRUP |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,738(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.83 |
| Molecular Weight | 1365.617 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR10548 |