Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C10H9F3O/c1-14-9-4-2-8(3-5-9)6-7-10(11,12)13/h2-7H,1H3
SMILES	COc1ccc(cc1)C=CC(F)(F)F
InChI Key	SMILDTCRTVKJRM-UHFFFAOYSA-N
Molecular Formula	C10H9F3O
Exact Mass	202.173 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/SMILDTCRTVKJRM-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/SMILDTCRTVKJRM-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:29:12.612884
MetadataModified	2024-09-07T12:40:14.340610
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
54313211	PubChem
The data in this table is sourced from UniChem at EBI.