Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C23H25FO3/c1-4-5-10-23(2,3)17-13-20(25)19-12-16(22(26)27-21(19)14-17)11-15-6-8-18(24)9-7-15/h6-9,12-14,25H,4-5,10-11H2,1-3H3
SMILES	CCCCC(c1cc(O)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)F)(C)C
InChI Key	DIGDZTVIAVKGMW-UHFFFAOYSA-N
Molecular Formula	C23H25FO3
Exact Mass	368.441 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DIGDZTVIAVKGMW-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/DIGDZTVIAVKGMW-UHFFFAOYSA-N/CHMO0000593
Version
Author	Maximilian Knab
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:53:16.306756
MetadataModified	2024-09-07T22:25:38.460223
MetadataPublished	2022-06-29
Related Molecule

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

Data-Source Molecule ID	Data-Source
163410443	PubChem
The data in this table is sourced from UniChem at EBI.