This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C7H13ClNNaO5S


Canonical SMILES:
[Na]N(S(=O)(=O)c1ccc(cc1)C)Cl.O.O.O
InChI:
InChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;
InChIKey:
NZYOAGBNMCVQIV-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2024-08-08This work is licensed under a Creative Commons Attribution 4.0 International License.

 

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) 
Author: Sylvia Vanderheiden-Schroen1

1. Institute of Biological and Chemical Systems – Functional Molecular Systems, Karlsruhe Institute of Technology, Germany

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