| SpectraBase Compound ID | In8RAntt25k |
|---|---|
| InChI | InChI=1S/C94H130N8O22/c1-55(2)48-69(81(109)100-73(52-77(105)123-93(18,19)20)85(113)99-72(51-58-36-42-61(43-37-58)120-90(9,10)11)84(112)101-74(86(114)115)53-78(106)124-94(21,22)23)96-83(111)71(50-57-34-40-60(41-35-57)119-89(6,7)8)97-79(107)67(44-46-75(103)121-91(12,13)14)95-82(110)70(49-56-32-38-59(39-33-56)118-88(3,4)5)98-80(108)68(45-47-76(104)122-92(15,16)17)102-87(116)117-54-66-64-30-26-24-28-62(64)63-29-25-27-31-65(63)66/h24-43,55,66-74H,44-54H2,1-23H3,(H,95,110)(H,96,111)(H,97,107)(H,98,108)(H,99,113)(H,100,109)(H,101,112)(H,102,116)(H,114,115) |
| InChIKey | OEFZSTAAQNQNQH-UHFFFAOYSA-N |
| Mol Weight | 1724.1 g/mol |
| Molecular Formula | C94H130N8O22 |
| Exact Mass | 1722.929968 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 | LRtx2IKAQCD |
|---|---|
| Name | OEFZSTAAQNQNQH-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H130N8O22 |
| InChI | InChI=1S/C94H130N8O22/c1-55(2)48-69(81(109)100-73(52-77(105)123-93(18,19)20)85(113)99-72(51-58-36-42-61(43-37-58)120-90(9,10)11)84(112)101-74(86(114)115)53-78(106)124-94(21,22)23)96-83(111)71(50-57-34-40-60(41-35-57)119-89(6,7)8)97-79(107)67(44-46-75(103)121-91(12,13)14)95-82(110)70(49-56-32-38-59(39-33-56)118-88(3,4)5)98-80(108)68(45-47-76(104)122-92(15,16)17)102-87(116)117-54-66-64-30-26-24-28-62(64)63-29-25-27-31-65(63)66/h24-43,55,66-74H,44-54H2,1-23H3,(H,95,110)(H,96,111)(H,97,107)(H,98,108)(H,99,113)(H,100,109)(H,101,112)(H,102,116)(H,114,115) |
| InChIKey | OEFZSTAAQNQNQH-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 1724.107 g/mol |
| Source File Reference | MHKO20076 |