Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H12Br2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,11-12H2
SMILES	BrCc1ccc(cc1)C#Cc1ccc(cc1)CBr
InChI Key	CJBZYJXEKPOKTB-UHFFFAOYSA-N
Molecular Formula	C16H12Br2
Exact Mass	364.074 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/CJBZYJXEKPOKTB-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CJBZYJXEKPOKTB-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:54:49.793824
MetadataModified	2024-09-07T23:45:29.710157
MetadataPublished	2022-11-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15033041	PubChem
J1.078.837D	Nikkaji
ZINC000196923444	ZINC
The data in this table is sourced from UniChem at EBI.