| SpectraBase Compound ID | 813yobPRELG |
|---|---|
| InChI | InChI=1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16?,17?,25?,26-/m0/s1 |
| InChIKey | IQMKPBFOEWWDIQ-STGLZICKSA-N |
| Mol Weight | 594.62 g/mol |
| Molecular Formula | C29H28F6N4OS |
| Exact Mass | 594.188802 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hZkWAIS8md |
|---|---|
| Name | IQMKPBFOEWWDIQ-STGLZICKSA-N |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H28F6N4OS |
| InChI | InChI=1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16?,17?,25?,26-/m0/s1 |
| InChIKey | IQMKPBFOEWWDIQ-STGLZICKSA-N |
| Literature Reference Author | B.VAKULYA,S.VARGA,A.CSAMPAI,T.SOOS |
| Literature Reference Citation | ORG.LETTERS,7,1967(2005) |
| Literature Reference DOI | 10.1021/ol050431s |
| Molecular Weight | 594.618 g/mol |
| Sample ID | 62074 |
| Solvent | CD3OD |