| SpectraBase Compound ID | KpK6pHYyh5g |
|---|---|
| InChI | InChI=1S/C70H102N6O12P2.2BF4/c1-65(2,3)83-61(77)71-45-53(73-63(79)85-67(7,8)9)43-49-27-35-57(36-28-49)89(81,87-69(13,14)15)59-39-31-55(32-40-59)75(19,20)47-51-23-25-52(26-24-51)48-76(21,22)56-33-41-60(42-34-56)90(82,88-70(16,17)18)58-37-29-50(30-38-58)44-54(74-64(80)86-68(10,11)12)46-72-62(78)84-66(4,5)6;2*2-1(3,4)5/h23-42,53-54H,43-48H2,1-22H3,(H2-2,71,72,73,74,77,78,79,80);;/q;2*-1/p+2/t53-,54-,89?,90?;;/m0../s1 |
| InChIKey | QDGXKAAGHZBZIU-FYGDDHOTSA-P |
| Mol Weight | 1457.2 g/mol |
| Molecular Formula | C70H104B2F8N6O12P2 |
| Exact Mass | 1456.724582 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUBuIupAt5k |
|---|---|
| Name | QDGXKAAGHZBZIU-FYGDDHOTSA-P |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H104B2F8N6O12P2 |
| InChI | InChI=1S/C70H102N6O12P2.2BF4/c1-65(2,3)83-61(77)71-45-53(73-63(79)85-67(7,8)9)43-49-27-35-57(36-28-49)89(81,87-69(13,14)15)59-39-31-55(32-40-59)75(19,20)47-51-23-25-52(26-24-51)48-76(21,22)56-33-41-60(42-34-56)90(82,88-70(16,17)18)58-37-29-50(30-38-58)44-54(74-64(80)86-68(10,11)12)46-72-62(78)84-66(4,5)6;2*2-1(3,4)5/h23-42,53-54H,43-48H2,1-22H3,(H2-2,71,72,73,74,77,78,79,80);;/q;2*-1/p+2/t53-,54-,89?,90?;;/m0../s1 |
| InChIKey | QDGXKAAGHZBZIU-FYGDDHOTSA-P |
| Literature Reference Author | F.WANG,A.W.SCHWABACHER |
| Literature Reference Citation | J.ORG.CHEM.,64,8922(1999) |
| Literature Reference DOI | 10.1021/jo991246t |
| Solvent | CDCl3 |
| Source File Reference | UWSI41458 |