| SpectraBase Compound ID | DhXOAIKU3jx |
|---|---|
| InChI | InChI=1S/C72H102N2O22/c1-61(2,3)53-47-57(75)87-39-27-35-83-43-31-25-32-44(51(43)73(79)80)85-37-29-41-89-59(77)49-55(63(7,8)9)93-72(68(22,23)24)50(56(64(10,11)12)94-71(49,96-72)67(19,20)21)60(78)90-42-30-38-86-46-34-26-33-45(52(46)74(81)82)84-36-28-40-88-58(76)48-54(62(4,5)6)92-69(47,65(13,14)15)95-70(48,91-53)66(16,17)18/h25-26,31-34H,27-30,35-42H2,1-24H3/t69-,70-,71+,72+ |
| InChIKey | NYRJILYLWBSSNA-IZRMNVJNSA-N |
| Mol Weight | 1347.6 g/mol |
| Molecular Formula | C72H102N2O22 |
| Exact Mass | 1346.692423 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ayt2ygIHQgD |
|---|---|
| Name | BIS-(2-NITRO-1,3-PHENYLENE)-MACROCYCLE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H102N2O22 |
| InChI | InChI=1S/C72H102N2O22/c1-61(2,3)53-47-57(75)87-39-27-35-83-43-31-25-32-44(51(43)73(79)80)85-37-29-41-89-59(77)49-55(63(7,8)9)93-72(68(22,23)24)50(56(64(10,11)12)94-71(49,96-72)67(19,20)21)60(78)90-42-30-38-86-46-34-26-33-45(52(46)74(81)82)84-36-28-40-88-58(76)48-54(62(4,5)6)92-69(47,65(13,14)15)95-70(48,91-53)66(16,17)18/h25-26,31-34H,27-30,35-42H2,1-24H3/t69-,70-,71+,72+ |
| InChIKey | NYRJILYLWBSSNA-IZRMNVJNSA-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 | 1347.602 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR10546 |