Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C19H15BrO3/c1-22-17-11-15(18(21)14-9-5-6-10-16(14)20)19(23-2)13-8-4-3-7-12(13)17/h3-11H,1-2H3
SMILES	COc1c(cc(c2c1cccc2)OC)C(=O)c1ccccc1Br
InChI Key	BLDZZLLBERMLIR-UHFFFAOYSA-N
Molecular Formula	C19H15BrO3
Exact Mass	371.225 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BLDZZLLBERMLIR-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/BLDZZLLBERMLIR-UHFFFAOYSA-N/CHMO0000563
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:15:51.482850
MetadataModified	2024-09-07T18:05:48.311979
MetadataPublished	2020-05-07

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

Data-Source Molecule ID	Data-Source
138453808	PubChem
UYUYIZ	CCDC
The data in this table is sourced from UniChem at EBI.