Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C27H22BrN/c28-26-18-20-5-9-21-8-4-19(6-10-23(26)11-7-20)17-25(21)22-12-14-24(15-13-22)27-3-1-2-16-29-27/h1-4,7-8,11-18H,5-6,9-10H2
SMILES	Brc1cc2CCc3ccc(CCc1cc2)cc3c1ccc(cc1)c1ccccn1
InChI Key	TVEJSJXJGYPLIY-UHFFFAOYSA-N
Molecular Formula	C27H22BrN
Exact Mass	440.374 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/TVEJSJXJGYPLIY-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/TVEJSJXJGYPLIY-UHFFFAOYSA-N/CHMO0000470
Version
Author	Daniel Knoll
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:55:32.560034
MetadataModified	2024-09-07T16:18:27.123720
MetadataPublished	2019-12-22

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145707048	PubChem
The data in this table is sourced from UniChem at EBI.