wil-190805-190138_oa.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -wil-190805-190138_oa date: 2019-08-05T19:35:44.000Z isFt: false name: wil-190805-190138_oa/1 phc0: 50.3276 phc1: -22.70673 type:...
Source: wil-190805-190138_oa.1d
Chemical Info
InChI | InChI=1S/C21H24N6O9S2.K/c22-26-23-9-10-34-11-12-35-14-20(28)24-18-5-1-16(2-6-18)13-21(25-36-38(31,32)33)37-15-17-3-7-19(8-4-17)27(29)30;/h1-8H,9-15H2,(H,24,28)(H,31,32,33);/q;+1/p-1/b25-21-; |
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SMILES | [K+].[N-]=[N+]=NCCOCCOCC(=O)NC1=CC=C(C/C(=N/OS(=O)(=O)[O-])SCC2=CC=C([N+](=O)[O-])C=C2)C=C1 |
InChI Key | KBDFHFRTPXKAPG-NBFRYIKDSA-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 | f786bd86-ee90-4bf4-a009-0b7a30d22be1 |
Package id | nmrxiv-d2072 |
Resource type | HTML |
State | active |