Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H16BrNO2/c1-23-15-7-9-19-17(11-15)18-12-16(24-2)8-10-20(18)22(19)14-5-3-13(21)4-6-14/h3-12H,1-2H3
SMILES	COc1ccc2c(c1)c1cc(OC)ccc1n2c1ccc(cc1)Br
InChI Key	RLFONFBXHGXNET-UHFFFAOYSA-N
Molecular Formula	C20H16BrNO2
Exact Mass	382.251 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/RLFONFBXHGXNET-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/RLFONFBXHGXNET-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:56:16.460262
MetadataModified	2024-09-08T01:56:16.460266
MetadataPublished	2023-11-13
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
122679750	PubChem
SCHEMBL18216935	SureChEMBL
The data in this table is sourced from UniChem at EBI.