Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C20H18FNO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3
SMILES	COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)F
InChI Key	WFRXNFYMSQQOHC-UHFFFAOYSA-N
Molecular Formula	C20H18FNO2
Exact Mass	323.361 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/WFRXNFYMSQQOHC-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/WFRXNFYMSQQOHC-UHFFFAOYSA-N/CHMO0000595
Version
Author	Henrik Tappert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-02-25T11:55:37.432567
MetadataModified	2025-02-25T12:02:23.465441
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Jun14-2023 Date : 20230615 Start time : 6.09 h Instrument : Avance NEO Label : HT-1053 ID : 264365 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
J3.172.154G	Nikkaji
102198005	PubChem
The data in this table is sourced from UniChem at EBI.