Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H14BrNO2/c1-15-9-6-8-4-3-5-11(14-16-2)12(8)10(13)7-9/h6-7H,3-5H2,1-2H3/b14-11+
SMILES	CO/N=C/1\CCCc2c1c(Br)cc(c2)OC
InChI Key	FWRPHJBHZLJZOM-SDNWHVSQSA-N
Molecular Formula	C12H14BrNO2
Exact Mass	284.149 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FWRPHJBHZLJZOM-SDNWHVSQSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FWRPHJBHZLJZOM-SDNWHVSQSA-N/CHMO0000470
Version
Author	Simon Oßwald
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:30:31.225138
MetadataModified	2024-09-08T01:30:31.225143
MetadataPublished	2023-08-22

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168499152	PubChem
The data in this table is sourced from UniChem at EBI.