Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C13H10O2/c14-10-15-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-10H
SMILES	O=COc1ccccc1c1ccccc1
InChI Key	HSLGAJRGTJJZAS-UHFFFAOYSA-N
Molecular Formula	C13H10O2
Exact Mass	198.217 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HSLGAJRGTJJZAS-UHFFFAOYSA-N/NMR/1H/CDCl3/250.1
License URL
Source	https://www.chemotion-repository.net/inchikey/HSLGAJRGTJJZAS-UHFFFAOYSA-N/NMR/1H/CDCl3/250.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:24:01.911167
MetadataModified	2024-09-07T13:51:48.426965
MetadataPublished	2014-09-17
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
21744772	PubChem
SCHEMBL2865511	SureChEMBL
The data in this table is sourced from UniChem at EBI.