Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C29H20F3NO/c30-29(31,32)23-17-15-22(16-18-23)28(34)26-24-13-7-8-14-25(24)33(19-20-9-3-1-4-10-20)27(26)21-11-5-2-6-12-21/h1-18H,19H2
SMILES	O=C(c1c2ccccc2n(c1c1ccccc1)Cc1ccccc1)c1ccc(cc1)C(F)(F)F
InChI Key	UWXZJIWLWRKQHS-UHFFFAOYSA-N
Molecular Formula	C29H20F3NO
Exact Mass	455.470 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UWXZJIWLWRKQHS-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/UWXZJIWLWRKQHS-UHFFFAOYSA-N/CHMO0000593
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:20:32.326337
MetadataModified	2024-09-07T23:00:07.979215
MetadataPublished	2022-09-15
Related Molecule

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

Data-Source Molecule ID	Data-Source
164889695	PubChem
The data in this table is sourced from UniChem at EBI.