Dataset

high-resolution mass spectrometry (HRMS)

Chemical Information

InChI	InChI=1S/C18H15ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-7-6-11(19)10-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1
SMILES	Clc1ccc2-c3ccccc3[C@@H]3[C@](c2c1)(C)C(=O)CC3
InChI Key	PNSSTAQVGHXKKK-QAPCUYQASA-N
Exact Mass	282.764 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/PNSSTAQVGHXKKK-QAPCUYQASA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/PNSSTAQVGHXKKK-QAPCUYQASA-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.