| SpectraBase Compound ID | 9MwC1yfSjNE |
|---|---|
| InChI | InChI=1S/C18H18S9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19-1/h1-18H/b2-1-,4-3-,6-5-,8-7-,10-9-,12-11-,14-13-,16-15-,18-17- |
| InChIKey | JMWMOPFCHDPVNZ-GTSWLNEOSA-N |
| Mol Weight | 522.9 g/mol |
| Molecular Formula | C18H18S9 |
| Exact Mass | 521.889491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVPKgfjutNw |
|---|---|
| Name | (Z,Z,Z,Z,Z,Z,Z,Z,Z)-1,4,7,10,13,16,19,22,25-NONATHIACYCLOHEPTACOSA-2,5,8,11,14,17,20,23,26-NONAENE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H18S9 |
| InChI | InChI=1S/C18H18S9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19-1/h1-18H/b2-1-,4-3-,6-5-,8-7-,10-9-,12-11-,14-13-,16-15-,18-17- |
| InChIKey | JMWMOPFCHDPVNZ-GTSWLNEOSA-N |
| Literature Reference Author | T.TSUCHIYA,T.SHIMIZU,N.KAMIGATA |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,11534(2001) |
| Literature Reference DOI | 10.1021/ja0102742 |
| Molecular Weight | 522.881 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU30682 |