Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C20H22O2/c1-13(2)19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14(3)4/h5-14H,1-4H3
SMILES	CC(C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)C(C)C)C
InChI Key	MRSISTCHAYIPPB-UHFFFAOYSA-N
Molecular Formula	C20H22O2
Exact Mass	294.387 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MRSISTCHAYIPPB-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/MRSISTCHAYIPPB-UHFFFAOYSA-N/CHMO0000595
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:43:39.318177
MetadataModified	2024-09-07T18:43:01.454809
MetadataPublished	2020-08-26

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

Data-Source Molecule ID	Data-Source
46706841	PubChem
SCHEMBL12418688	SureChEMBL
The data in this table is sourced from UniChem at EBI.