Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C20H17BrO4/c1-23-12-8-9-17(21)15(10-12)19(22)16-11-18(24-2)13-6-4-5-7-14(13)20(16)25-3/h4-11H,1-3H3
SMILES	COc1c(cc(c2c1cccc2)OC)C(=O)c1cc(OC)ccc1Br
InChI Key	ISSAVWGYAUZPDS-UHFFFAOYSA-N
Molecular Formula	C20H17BrO4
Exact Mass	401.251 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ISSAVWGYAUZPDS-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ISSAVWGYAUZPDS-UHFFFAOYSA-N/CHMO0000593
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:12:10.564449
MetadataModified	2024-09-07T18:00:58.057121
MetadataPublished	2020-05-07
Related Molecule

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

Data-Source Molecule ID	Data-Source
146035831	PubChem
UYUCID	CCDC
The data in this table is sourced from UniChem at EBI.