KL-MDK3-145-New.c13
Dataset description:
This dataset contains NMR spectra obtained for the sample -KL-MDK3-145-New date: 2023-10-06T11:48:45.000Z isFt: false name: KL-MDK3-145-New/2 phc0: 82.4 phc1: 0 type: NMR FID DECIM: 1680...
Source: KL-MDK3-145-New.c13
Chemical Info
| InChI | InChI=1S/C13H14N2O6S2.K/c1-2-3-4-5-13(14-21-23(18,19)20)22-10-11-6-8-12(9-7-11)15(16)17;/h1,6-9H,3-5,10H2,(H,18,19,20);/q;+1/p-1/b14-13-; |
|---|---|
| SMILES | C#CCCC/C(=N/OS(=O)(=O)[O-])SCC1=CC=C([N+](=O)[O-])C=C1.[K+] |
| InChI Key | VWMVJOWFXLXIEV-HPWRNOGASA-M |
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Additional Information
| Field | Value |
|---|---|
| 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 | 06b746b4-dc8c-4251-8a6e-64b5cc10e54c |
| Package id | nmrxiv-d2063 |
| Resource type | HTML |
| State | active |