Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C25H19BrF3NO4/c1-12-9-18-20(31)15-5-3-4-6-16(15)21(32)24(18,11-13(12)2)22(33)17-10-14(7-8-19(17)26)30-23(34)25(27,28)29/h3-8,10,18H,9,11H2,1-2H3,(H,30,34)
SMILES	O=C(C(F)(F)F)Nc1ccc(c(c1)C(=O)C12CC(=C(CC1C(=O)c1c(C2=O)cccc1)C)C)Br
InChI Key	LWPRQCGBQORNHS-UHFFFAOYSA-N
Molecular Formula	C25H19BrF3NO4
Exact Mass	534.322 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LWPRQCGBQORNHS-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/LWPRQCGBQORNHS-UHFFFAOYSA-N/CHMO0000593
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:08:55.423142
MetadataModified	2024-09-07T17:56:33.966484
MetadataPublished	2020-05-07
Related Molecule

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

Data-Source Molecule ID	Data-Source
146035820	PubChem
The data in this table is sourced from UniChem at EBI.