Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C30H18O9/c31-13-22-25(16-1-7-19(8-2-16)28(34)35)23(14-32)27(18-5-11-21(12-6-18)30(38)39)24(15-33)26(22)17-3-9-20(10-4-17)29(36)37/h1-15H,(H,34,35)(H,36,37)(H,38,39)
SMILES	O=Cc1c(c2ccc(cc2)C(=O)O)c(C=O)c(c(c1c1ccc(cc1)C(=O)O)C=O)c1ccc(cc1)C(=O)O
InChI Key	OCNLXLJLHXKFPZ-UHFFFAOYSA-N
Molecular Formula	C30H18O9
Exact Mass	522.459 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OCNLXLJLHXKFPZ-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/OCNLXLJLHXKFPZ-UHFFFAOYSA-N/CHMO0000601
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:28:47.698196
MetadataModified	2024-09-07T20:58:32.940633
MetadataPublished	2022-01-08

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.