Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C18H14FOP/c19-17-13-7-8-14-18(17)21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
SMILES	Fc1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChI Key	MTSVGCFANKMACF-UHFFFAOYSA-N
Exact Mass	296.275 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MTSVGCFANKMACF-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/MTSVGCFANKMACF-UHFFFAOYSA-N/CHMO0000595
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-09
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-08-16 Start time : 01:00:22 UTC Creator : Adrian Daniel Hund Label : ADH-21 ID : 370338 Solvent : CDCl3 Temperature : 298.0002 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO Name : TopSpin

Data-Source Molecule ID	Data-Source
13005284	PubChem
DTXSID20514856	EPA CompTox Dashboard
ZINC000095611999	ZINC
SCHEMBL780209	SureChEMBL
The data in this table is sourced from UniChem at EBI.