Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C24H17BrF3NO4/c1-12-8-9-23(17(10-12)19(30)14-4-2-3-5-15(14)20(23)31)21(32)16-11-13(6-7-18(16)25)29-22(33)24(26,27)28/h2-8,11,17H,9-10H2,1H3,(H,29,33)/t17-,23+/m0/s1
SMILES	CC1=CC[C@]2([C@@H](C1)C(=O)c1c(C2=O)cccc1)C(=O)c1cc(ccc1Br)NC(=O)C(F)(F)F
InChI Key	CYVQCLLXOPONSH-GAJHUEQPSA-N
Molecular Formula	C24H17BrF3NO4
Exact Mass	520.295 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CYVQCLLXOPONSH-GAJHUEQPSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/CYVQCLLXOPONSH-GAJHUEQPSA-N/CHMO0000563
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:09:39.684663
MetadataModified	2024-09-07T17:57:30.944509
MetadataPublished	2020-05-07

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146035847	PubChem
The data in this table is sourced from UniChem at EBI.