Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C13H15F3/c1-12(2,3)11-6-4-10(5-7-11)8-9-13(14,15)16/h4-9H,1-3H3
SMILES	FC(C=Cc1ccc(cc1)C(C)(C)C)(F)F
InChI Key	QAHIAMLOAHKKKG-UHFFFAOYSA-N
Molecular Formula	C13H15F3
Exact Mass	228.253 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QAHIAMLOAHKKKG-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/QAHIAMLOAHKKKG-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:29:10.451290
MetadataModified	2024-09-07T12:40:09.228847
MetadataPublished	2014-05-27
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427424	PubChem
The data in this table is sourced from UniChem at EBI.