Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H18F2O4/c1-20-13-7-5-11(9-15(13)22-3)17(18,19)12-6-8-14(21-2)16(10-12)23-4/h5-10H,1-4H3
SMILES	COc1cc(ccc1OC)C(c1ccc(c(c1)OC)OC)(F)F
InChI Key	QIXVUCZYPPKZIN-UHFFFAOYSA-N
Molecular Formula	C17H18F2O4
Exact Mass	324.319 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/QIXVUCZYPPKZIN-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/QIXVUCZYPPKZIN-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:33:58.766222
MetadataModified	2024-09-07T12:47:20.317307
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427438	PubChem
The data in this table is sourced from UniChem at EBI.