Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C9H10F2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,8-9,12H,1H3
SMILES	COc1ccc(cc1)C(C(F)F)O
InChI Key	ISFCVJGNLBFSOB-UHFFFAOYSA-N
Molecular Formula	C9H10F2O2
Exact Mass	188.171 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/ISFCVJGNLBFSOB-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/ISFCVJGNLBFSOB-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Franziska Glaeser
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:47:28.277084
MetadataModified	2024-09-07T13:07:23.862374
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
J2.244.176K	Nikkaji
15783623	PubChem
The data in this table is sourced from UniChem at EBI.