Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C18H17ClO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14,16,20H,9-10H2,1H3/t14-,16+,18-/m1/s1
SMILES	Clc1cccc2-c3ccccc3[C@@H]3[C@](c12)(C)[C@@H](O)CC3
InChI Key	SCQDGWOVSFRKFS-UWWQBHOKSA-N
Exact Mass	284.780 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SCQDGWOVSFRKFS-UWWQBHOKSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/SCQDGWOVSFRKFS-UWWQBHOKSA-N/CHMO0000595
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-24
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
177693403	pubchem
The data in this table is sourced from UniChem at EBI.