| SpectraBase Compound ID | H8ObBYUgvwn |
|---|---|
| InChI | InChI=1S/C64H66N4O11S2/c1-73-51-23-15-46(16-24-51)63(45-11-7-5-8-12-45,47-17-25-52(74-2)26-18-47)77-37-33-55-43(39-59(78-55)67-35-31-57(69)65-61(67)71)41-80-38-34-56-44(40-60(79-56)68-36-32-58(70)66-62(68)72)42-81-64(48-13-9-6-10-14-48,49-19-27-53(75-3)28-20-49)50-21-29-54(76-4)30-22-50/h5-32,35-36,43-44,55-56,59-60H,33-34,37-42H2,1-4H3,(H,65,69,71)(H,66,70,72)/t43-,44+,55-,56+,59-,60+/m0/s1 |
| InChIKey | LHDUBZAVCPAMCJ-SQTNKHHPSA-N |
| Mol Weight | 1131.4 g/mol |
| Molecular Formula | C64H66N4O11S2 |
| Exact Mass | 1130.416951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZWRK2i4bnL |
|---|---|
| Name | LHDUBZAVCPAMCJ-SQTNKHHPSA-N |
| Compound Number | 51 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H66N4O11S2 |
| InChI | InChI=1S/C64H66N4O11S2/c1-73-51-23-15-46(16-24-51)63(45-11-7-5-8-12-45,47-17-25-52(74-2)26-18-47)77-37-33-55-43(39-59(78-55)67-35-31-57(69)65-61(67)71)41-80-38-34-56-44(40-60(79-56)68-36-32-58(70)66-62(68)72)42-81-64(48-13-9-6-10-14-48,49-19-27-53(75-3)28-20-49)50-21-29-54(76-4)30-22-50/h5-32,35-36,43-44,55-56,59-60H,33-34,37-42H2,1-4H3,(H,65,69,71)(H,66,70,72)/t43-,44+,55-,56+,59-,60+/m0/s1 |
| InChIKey | LHDUBZAVCPAMCJ-SQTNKHHPSA-N |
| Literature Reference Author | Z.HUANG,S.A.BENNER |
| Literature Reference Citation | J.ORG.CHEM.,67,3996(2002) |
| Literature Reference DOI | 10.1021/jo0003910 |
| Molecular Weight | 1131.368 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26106 |