Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C25H26O7/c1-3-29-23(26)7-5-17-31-21-13-9-19(10-14-21)25(28)20-11-15-22(16-12-20)32-18-6-8-24(27)30-4-2/h5-16H,3-4,17-18H2,1-2H3/b7-5+,8-6+
SMILES	CCOC(=O)/C=C/COc1ccc(cc1)C(=O)c1ccc(cc1)OC/C=C/C(=O)OCC
InChI Key	OXMDPSPUSHKQNV-KQQUZDAGSA-N
Molecular Formula	C25H26O7
Exact Mass	438.470 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/OXMDPSPUSHKQNV-KQQUZDAGSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/OXMDPSPUSHKQNV-KQQUZDAGSA-N/NMR/1H/CDCl3/400
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:03:52.021568
MetadataModified	2024-09-07T13:31:46.590449
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427505	PubChem
The data in this table is sourced from UniChem at EBI.