Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C18H15FO/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	Fc1ccc2-c3ccccc3[C@@H]3[C@](c2c1)(C)C(=O)CC3
InChI Key	QJVJRWMLFUXGAH-QAPCUYQASA-N
Exact Mass	266.310 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/QJVJRWMLFUXGAH-QAPCUYQASA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/QJVJRWMLFUXGAH-QAPCUYQASA-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	Date : 2025-09-19 Start time : 09:35:09 UTC Creator : Dominik Grünwald Label : DGR-43 ID : 145932 Solvent : CDCl3 Temperature : 298 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : spect Name : TopSpin Version : 3.6.2

Data-Source Molecule ID	Data-Source
177693385	pubchem
The data in this table is sourced from UniChem at EBI.