Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H12O4/c1-15-9-5-6-10(16-2)12-8(14)4-3-7(13)11(9)12/h3-6,13-14H,1-2H3
SMILES	COc1ccc(c2c1c(O)ccc2O)OC
InChI Key	RGPBIAQTLFKQGH-UHFFFAOYSA-N
Molecular Formula	C12H12O4
Exact Mass	220.221 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/RGPBIAQTLFKQGH-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source	https://www.chemotion-repository.net/inchikey/RGPBIAQTLFKQGH-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author	Tim Wezeman
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:21:39.922979
MetadataModified	2024-09-07T13:48:19.343047
MetadataPublished	2014-08-21

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

Data-Source Molecule ID	Data-Source
14041043	PubChem
J1.031.954D	Nikkaji
The data in this table is sourced from UniChem at EBI.