Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C24H12O12/c25-19(26)13-1-7-8(2-14(13)20(27)28)10-4-17(23(33)34)18(24(35)36)6-12(10)11-5-16(22(31)32)15(21(29)30)3-9(7)11/h1-6H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)
SMILES	OC(=O)c1cc2c(cc1C(=O)O)c1cc(C(=O)O)c(cc1c1c2cc(C(=O)O)c(c1)C(=O)O)C(=O)O
InChI Key	VXNBSNYXVNPLRD-UHFFFAOYSA-N
Molecular Formula	C24H12O12
Exact Mass	492.345 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/VXNBSNYXVNPLRD-UHFFFAOYSA-N/NMR/13C/DMSO/100
License URL
Source	https://www.chemotion-repository.net/inchikey/VXNBSNYXVNPLRD-UHFFFAOYSA-N/NMR/13C/DMSO/100
Version
Author	Isabelle Wessely
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:57:14.216333
MetadataModified	2024-09-07T13:22:00.083848
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
54416108	PubChem
SCHEMBL3872491	SureChEMBL
The data in this table is sourced from UniChem at EBI.