Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C26H31F4N3O/c1-17-15-21-20-7-3-4-9-22(20)32-24(21)25(33(17)16-26(28,29)30)19-8-5-10-23(18(19)2)34-14-13-31-12-6-11-27/h3-5,7-10,17,25,31-32H,6,11-16H2,1-2H3/t17-,25-/m1/s1
SMILES	FCCCNCCOc1cccc(c1C)[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1
InChI Key	GRTREOMLNXYRCK-CRICUBBOSA-N
Molecular Formula	C26H31F4N3O
Exact Mass	477.537 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/GRTREOMLNXYRCK-CRICUBBOSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/GRTREOMLNXYRCK-CRICUBBOSA-N/CHMO0000593
Version
Author	amber balazs
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:39:58.407643
MetadataModified	2024-09-07T19:55:42.317435
MetadataPublished	2021-06-01
Related Molecule

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

Data-Source Molecule ID	Data-Source
SCHEMBL20517892	SureChEMBL
CHEMBL5423660	ChEMBL
135343516	PubChem
The data in this table is sourced from UniChem at EBI.