wil140130_oa.cosy
Dataset description:
This dataset contains NMR spectra obtained for the sample -wil140130_oa date: 2019-10-24T06:18:19.000Z isFt: false name: wil140130_oa/1 phc0: 53.02186 phc1: -36.57352 type: NMR FID DECIM:...
Source: wil140130_oa.cosy
Chemical Info
InChI | InChI=1S/C36H40N8O11S3.K/c1-42(2)33-7-3-6-32-31(33)5-4-8-34(32)57(48,49)37-22-29-23-43(41-39-29)17-18-53-19-20-54-24-35(45)38-28-13-9-26(10-14-28)21-36(40-55-58(50,51)52)56-25-27-11-15-30(16-12-27)44(46)47;/h3-16,23,37H,17-22,24-25H2,1-2H3,(H,38,45)(H,50,51,52);/q;+1/p-1/b40-36-; |
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SMILES | CN(C)C1=C2C=CC=C(S(=O)(=O)NCC3=CN(CCOCCOCC(=O)NC4=CC=C(C/C(=N/OS(=O)(=O)[O-])SCC5=CC=C([N+](=O)[O-])C=C5)C=C4)N=N3)C2=CC=C1.[K+] |
InChI Key | CZOMKLUTFZNNBH-VCGLEPTQSA-M |
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Additional Information
Field | Value |
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Data last updated | May 15, 2024 |
Metadata last updated | May 15, 2024 |
Created | May 15, 2024 |
Format | HTML |
License | Attribution-NonCommercial-NoDerivs 4.0 International |
Id | 690100e5-17a2-484c-bde5-d1339ed0ed26 |
Package id | nmrxiv-d2017 |
Resource type | HTML |
State | active |