Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H14O6/c17-7-11-5-9(15(19)20)1-3-13(11)14-4-2-10(16(21)22)6-12(14)8-18/h1-6,17-18H,7-8H2,(H,19,20)(H,21,22)
SMILES	OCc1cc(ccc1c1ccc(cc1CO)C(=O)O)C(=O)O
InChI Key	XOMAWRGAHXFZSS-UHFFFAOYSA-N
Molecular Formula	C16H14O6
Exact Mass	302.279 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XOMAWRGAHXFZSS-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/XOMAWRGAHXFZSS-UHFFFAOYSA-N/CHMO0000593
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:18:20.189841
MetadataModified	2024-09-07T18:09:18.376686
MetadataPublished	2020-05-24
Related Molecule

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

Data-Source Molecule ID	Data-Source
146036892	PubChem
The data in this table is sourced from UniChem at EBI.