Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C18H11BrO4/c1-23-10-6-7-15(19)13(8-10)18(22)14-9-16(20)11-4-2-3-5-12(11)17(14)21/h2-9H,1H3
SMILES	COc1ccc(c(c1)C(=O)C1=CC(=O)c2c(C1=O)cccc2)Br
InChI Key	HDMBZXQPNMCUAS-UHFFFAOYSA-N
Molecular Formula	C18H11BrO4
Exact Mass	371.182 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HDMBZXQPNMCUAS-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/HDMBZXQPNMCUAS-UHFFFAOYSA-N/CHMO0000593
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:14:49.969096
MetadataModified	2024-09-07T18:04:41.389613
MetadataPublished	2020-05-07
Related Molecule

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

Data-Source Molecule ID	Data-Source
146035844	PubChem
The data in this table is sourced from UniChem at EBI.