Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C13H8O3/c14-13-9-5-1-2-6-10(9)15-11-7-3-4-8-12(11)16-13/h1-8H
SMILES	O=C1Oc2ccccc2Oc2c1cccc2
InChI Key	YCJBWNIROIXYPD-UHFFFAOYSA-N
Molecular Formula	C13H8O3
Exact Mass	212.201 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YCJBWNIROIXYPD-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source	https://www.chemotion-repository.net/inchikey/YCJBWNIROIXYPD-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:48:40.961086
MetadataModified	2024-09-07T13:09:11.154710
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
DTXSID50189334	EPA CompTox Dashboard
J105.157A	Nikkaji
SCHEMBL2113335	SureChEMBL
MTBLC75940	Metabolights
ZINC000002020198	ZINC
3580-77-6	ACToR
80007419	NMRShiftDB
65123	PubChem
75940	ChEBI
The data in this table is sourced from UniChem at EBI.