13C nuclear magnetic resonance spectroscopy (13C NMR)

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Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image

InChI	InChI=1S/C26H29F3O3/c1-4-5-6-9-12-25(2,3)19-15-22(30)20-14-18(24(31)32-23(20)16-19)13-17-10-7-8-11-21(17)26(27,28)29/h7-8,10-11,14-16,30H,4-6,9,12-13H2,1-3H3
SMILES	CCCCCCC(c1cc(O)c2c(c1)oc(=O)c(c2)Cc1ccccc1C(F)(F)F)(C)C
InChI Key	KGYXZMFMILEIEM-UHFFFAOYSA-N
Exact Mass	446.502 g/mol

Data and Resources

13C nuclear magnetic resonance spectroscopy (13C NMR)HTML

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Metadata Information

Field	Value
DOI	10.14272/KGYXZMFMILEIEM-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/KGYXZMFMILEIEM-UHFFFAOYSA-N/CHMO0000595
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-04-28T13:07:53Z
Related Molecule

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

Data-Source Molecule ID	Data-Source
CHEMBL4869153	chembl
164624647	pubchem
50578431	bindingdb
The data in this table is sourced from UniChem at EBI.