Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C8H10F3NO2/c1-4(2)3-5-6(13)14-7(12-5)8(9,10)11/h4,7H,3H2,1-2H3
SMILES	CC(CC1=NC(OC1=O)C(F)(F)F)C
InChI Key	MKMMPGZBUWWIQZ-UHFFFAOYSA-N
Molecular Formula	C8H10F3NO2
Exact Mass	209.166 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/MKMMPGZBUWWIQZ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source	https://www.chemotion-repository.net/inchikey/MKMMPGZBUWWIQZ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:24:18.048821
MetadataModified	2024-09-07T13:51:55.644436
MetadataPublished	2014-09-22

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

Data-Source Molecule ID	Data-Source
71357806	PubChem
DTXSID50781852	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.