Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
SMILES	Brc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	RJOYWTPJYZNRJD-UHFFFAOYSA-N
Molecular Formula	C16H15Br
Exact Mass	287.194 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:50:12.474931
MetadataModified	2024-09-07T23:39:23.071011
MetadataPublished	2022-10-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL2262585	SureChEMBL
J638.003D	Nikkaji
ZINC000003123046	ZINC
DTXSID20453170	EPA CompTox Dashboard
CB9463013	ChemicalBook
1105307	eMolecules
16109816	PubChem: Thomson Pharma
11044379	PubChem
The data in this table is sourced from UniChem at EBI.