Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C31H29F2N3O3/c1-3-39-31(37)30-13-18(25-16-34-27-14-19(32)4-10-23(25)27)12-29(36(30)21-6-8-22(38-2)9-7-21)26-17-35-28-15-20(33)5-11-24(26)28/h4-11,14-18,29-30,34-35H,3,12-13H2,1-2H3/t18-,29-,30-/m0/s1
SMILES	CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccc(cc1)OC)c1c[nH]c2c1ccc(c2)F)c1c[nH]c2c1ccc(c2)F
InChI Key	OKQDAHHBTSZMHD-XJYZWLLDSA-N
Molecular Formula	C31H29F2N3O3
Exact Mass	529.577 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/OKQDAHHBTSZMHD-XJYZWLLDSA-N/NMR/19F/acetone/400
License URL
Source	https://www.chemotion-repository.net/inchikey/OKQDAHHBTSZMHD-XJYZWLLDSA-N/NMR/19F/acetone/400
Version
Author	Sabilla Zhong
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:49:48.061783
MetadataModified	2024-09-07T13:10:48.889620
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	19F nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427466	PubChem
The data in this table is sourced from UniChem at EBI.