KL-MDK3-142_New-6.c13
Dataset description:
This dataset contains NMR spectra obtained for the sample -KL-MDK3-142_New-6 date: 2023-10-16T22:42:42.000Z isFt: false name: KL-MDK3-142_New-6/2 phc0: 82.18 phc1: 0 type: NMR FID DECIM:...
Source: KL-MDK3-142_New-6.c13
Chemical Info
InChI | InChI=1S/C13H14N2O3S/c1-2-3-4-5-13(14-16)19-10-11-6-8-12(9-7-11)15(17)18/h1,6-9,16H,3-5,10H2/b14-13- |
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SMILES | C#CCCC/C(=N/O)SCC1=CC=C([N+](=O)[O-])C=C1 |
InChI Key | RQOSPZJYTJGQDF-YPKPFQOOSA-N |
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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 | 6e91f49d-a472-4f1c-b9a0-942c51ca3e61 |
Package id | nmrxiv-d2061 |
Resource type | HTML |
State | active |