Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C27H33F4N3O/c1-17-9-10-23(35-14-13-32-12-6-11-28)19(3)24(17)26-25-21(20-7-4-5-8-22(20)33-25)15-18(2)34(26)16-27(29,30)31/h4-5,7-10,18,26,32-33H,6,11-16H2,1-3H3/t18-,26-/m1/s1
SMILES	FCCCNCCOc1ccc(c(c1C)[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1)C
InChI Key	WCXZZJFDRDQAHJ-WXTAPIANSA-N
Molecular Formula	C27H33F4N3O
Exact Mass	491.564 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WCXZZJFDRDQAHJ-WXTAPIANSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/WCXZZJFDRDQAHJ-WXTAPIANSA-N/CHMO0000593
Version
Author	amber balazs
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:39:55.836067
MetadataModified	2024-09-07T19:55:39.041305
MetadataPublished	2021-06-01
Related Molecule

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

Data-Source Molecule ID	Data-Source
SCHEMBL20441380	SureChEMBL
135277093	PubChem
The data in this table is sourced from UniChem at EBI.