Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C5H8Cl3NO2/c1-10-2-3-11-4(9)5(6,7)8/h9H,2-3H2,1H3
SMILES	COCCOC(=N)C(Cl)(Cl)Cl
InChI Key	MKMBYEOVRQVUAL-UHFFFAOYSA-N
Molecular Formula	C5H8Cl3NO2
Exact Mass	220.482 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MKMBYEOVRQVUAL-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source	https://www.chemotion-repository.net/inchikey/MKMBYEOVRQVUAL-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:22:43.221479
MetadataModified	2024-09-07T13:49:27.855041
MetadataPublished	2014-08-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
77050807	PubChem
The data in this table is sourced from UniChem at EBI.