wil-190916-195756_oa.dept
Dataset description:
This dataset contains NMR spectra obtained for the sample -wil-190916-195756_oa date: 2019-09-16T23:24:38.000Z isFt: false name: wil-190916-195756_oa/1 phc0: 46.99662 phc1: -15.89891...
Source: wil-190916-195756_oa.dept
Chemical Info
| InChI | InChI=1S/C29H34N8O7S2.K/c1-37(2)27-13-11-26(12-14-27)34-33-25-9-5-23(6-10-25)21-45-29(35-44-46(39,40)41)19-22-3-7-24(8-4-22)32-28(38)20-43-18-17-42-16-15-31-36-30;/h3-14H,15-21H2,1-2H3,(H,32,38)(H,39,40,41);/q;+1/p-1/b34-33+,35-29-; |
|---|---|
| SMILES | CN(C)C1=CC=C(/N=N/C2=CC=C(CS/C(CC3=CC=C(NC(=O)COCCOCCN=[N+]=[N-])C=C3)=N\OS(=O)(=O)[O-])C=C2)C=C1.[K+] |
| InChI Key | ITXVXYMQZYEJAH-YVQNCJCLSA-M |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | Attribution-NonCommercial-NoDerivs 4.0 International |
| Id | f9529696-2db3-4dcf-afa0-702a8a0d973a |
| Package id | nmrxiv-d3442 |
| Resource type | HTML |
| State | active |