Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C18H16O/c1-13-15(11-12-18(13)19)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
SMILES	CC1=C(CCC1=O)c1ccccc1c1ccccc1
InChI Key	WDXNCPIVWMURSV-UHFFFAOYSA-N
Exact Mass	248.319 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/WDXNCPIVWMURSV-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/WDXNCPIVWMURSV-UHFFFAOYSA-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
177693417	pubchem
The data in this table is sourced from UniChem at EBI.