Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H17Cl/c1-16(2,17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
SMILES	CC(Cc1ccc(cc1)c1ccccc1)(Cl)C
InChI Key	IMWDMLSOKBIFMM-UHFFFAOYSA-N
Molecular Formula	C16H17Cl
Exact Mass	244.759 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/IMWDMLSOKBIFMM-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/IMWDMLSOKBIFMM-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:44:15.697998
MetadataModified	2024-09-07T18:43:47.896415
MetadataPublished	2020-08-26

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12808918	PubChem
The data in this table is sourced from UniChem at EBI.