Dataset

high-resolution mass spectrometry (HRMS)

Chemical Information

InChI	InChI=1S/C25H21BrO2/c1-25-21-9-5-4-8-19(21)18-6-2-3-7-20(18)22(25)14-15-23(25)28-24(27)16-10-12-17(26)13-11-16/h2-13,22-23H,14-15H2,1H3/t22-,23-,25-/m1/s1
SMILES	Brc1ccc(cc1)C(=O)O[C@@H]1CC[C@H]2[C@@]1(C)c1ccccc1-c1c2cccc1
InChI Key	FYAKYFIOOJBFHV-VDKIKQQVSA-N
Exact Mass	433.337 g/mol

Data and Resources

• high-resolution mass spectrometry (HRMS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FYAKYFIOOJBFHV-VDKIKQQVSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/FYAKYFIOOJBFHV-VDKIKQQVSA-N/CHMO0000498
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-24
Related Molecule

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.