Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H15BrO/c18-17-15-8-6-13-3-1-12(2-4-13)5-7-14(9-10-15)16(17)11-19/h1-4,9-11H,5-8H2
SMILES	O=Cc1c2CCc3ccc(CCc(c1Br)cc2)cc3
InChI Key	HOTMMJRJOHGLRS-UHFFFAOYSA-N
Molecular Formula	C17H15BrO
Exact Mass	315.204 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HOTMMJRJOHGLRS-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/HOTMMJRJOHGLRS-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:07:25.929270
MetadataModified	2024-09-07T16:34:56.085565
MetadataPublished	2020-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.301.868A	Nikkaji
102134722	PubChem
The data in this table is sourced from UniChem at EBI.