| SpectraBase Compound ID | FSt5H3xm9GY |
|---|---|
| InChI | InChI=1S/2C26H29F4N7O4S/c2*27-20-19(21(28)23(30)24(22(20)29)36-37-31)26(40)33-11-5-2-8-16(25(39)34-13-15-7-1-4-10-32-15)35-17(38)14-42-18-9-3-6-12-41-18/h2*1,4,7,10,16,18H,2-3,5-6,8-9,11-14H2,(H,33,40)(H,34,39)(H,35,38) |
| InChIKey | WKQNEJSLEOQXNC-UHFFFAOYSA-N |
| Mol Weight | 1223.23 g/mol |
| Molecular Formula | C52H58F8N14O8S2 |
| Exact Mass | 1222.387573 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rXzu6PSJkh |
|---|---|
| Name | WKQNEJSLEOQXNC-UHFFFAOYSA-N |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H58F8N14O8S2 |
| InChI | InChI=1S/2C26H29F4N7O4S/c2*27-20-19(21(28)23(30)24(22(20)29)36-37-31)26(40)33-11-5-2-8-16(25(39)34-13-15-7-1-4-10-32-15)35-17(38)14-42-18-9-3-6-12-41-18/h2*1,4,7,10,16,18H,2-3,5-6,8-9,11-14H2,(H,33,40)(H,34,39)(H,35,38) |
| InChIKey | WKQNEJSLEOQXNC-UHFFFAOYSA-N |
| Literature Reference Author | R.RAJAGOPALAN,R.R.KUNTZ,U.SHARMA,W.A.VOLKERT,R.S.PANDURANGI |
| Literature Reference Citation | J.ORG.CHEM.,67,6748(2002) |
| Literature Reference DOI | 10.1021/jo010782u |
| Molecular Weight | 1223.229 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI22086 |