Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C21H17N2O3.BrH/c1-25-18-2-3-19-17(12-21(24)26-20(19)13-18)14-23-10-6-16(7-11-23)15-4-8-22-9-5-15;/h2-13H,14H2,1H3;1H/q+1;/p-1
SMILES	COc1ccc2c(c1)oc(=O)cc2C[n+]1ccc(cc1)c1ccncc1.[Br-]
InChI Key	WFLMEEFLMDVDTP-UHFFFAOYSA-M
Molecular Formula	C21H17BrN2O3
Exact Mass	425.275 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/WFLMEEFLMDVDTP-UHFFFAOYSA-M/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/WFLMEEFLMDVDTP-UHFFFAOYSA-M/Mass
Version
Author	Hannes Kühner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:09:18.221352
MetadataModified	2024-09-07T15:11:02.648811
MetadataPublished	2019-06-21

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138403285	PubChem
The data in this table is sourced from UniChem at EBI.