Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H13Br2NO/c23-15-8-10-19-21(12-15)26-22-13-16(24)9-11-20(22)25(19)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H
SMILES	Brc1ccc2c(c1)Oc1c(N2c2cccc3c2cccc3)ccc(c1)Br
InChI Key	DZYNHFYPLMTCCT-UHFFFAOYSA-N
Molecular Formula	C22H13Br2NO
Exact Mass	467.153 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/DZYNHFYPLMTCCT-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DZYNHFYPLMTCCT-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:57:56.444241
MetadataModified	2024-09-08T03:57:56.444246
MetadataPublished	2024-07-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
129074759	PubChem
SCHEMBL18790545	SureChEMBL
The data in this table is sourced from UniChem at EBI.