Dataset

electrospray ionisation mass spectrometry (ESMS)

Chemical Information

InChI	InChI=1S/C16H15BrO/c17-15-13-7-5-11-1-3-12(4-2-11)6-8-14(10-9-13)16(15)18/h1-4,9-10,18H,5-8H2
SMILES	Brc1c2CCc3ccc(CCc(c1O)cc2)cc3
InChI Key	XTTPBMXGIIKYTJ-UHFFFAOYSA-N
Exact Mass	303.194 g/mol

Data and Resources

• electrospray ionisation mass spectrometry (ESMS)HTML
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• chmo0000482

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XTTPBMXGIIKYTJ-UHFFFAOYSA-N/CHMO0000482
License URL
Source	https://www.chemotion-repository.net/inchikey/XTTPBMXGIIKYTJ-UHFFFAOYSA-N/CHMO0000482
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-27
Related Molecule

Field	Value
Measurement Technique	CHMO:0000482
Measurement Variables

Data-Source Molecule ID	Data-Source
6421972	pubchem
The data in this table is sourced from UniChem at EBI.