Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C15H13F5O2/c1-22-13(21)14(17,15(18,19)20)10-6-7-11(12(16)8-10)9-4-2-3-5-9/h4,6-8H,2-3,5H2,1H3
SMILES	COC(=O)C(C(F)(F)F)(c1ccc(c(c1)F)C1=CCCC1)F
InChI Key	ODLBHFASVBYMCV-UHFFFAOYSA-N
Molecular Formula	C15H13F5O2
Exact Mass	320.255 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ODLBHFASVBYMCV-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/ODLBHFASVBYMCV-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:33:46.341320
MetadataModified	2024-09-07T12:47:02.735918
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
J3.193.377C	Nikkaji
73427437	PubChem
The data in this table is sourced from UniChem at EBI.