Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C23H19BrO4/c1-13-9-10-23(22(27)17-12-14(28-2)7-8-19(17)24)18(11-13)20(25)15-5-3-4-6-16(15)21(23)26/h3-9,12,18H,10-11H2,1-2H3/t18-,23+/m0/s1
SMILES	COc1ccc(c(c1)C(=O)[C@]12CC=C(C[C@H]1C(=O)c1c(C2=O)cccc1)C)Br
InChI Key	XQBNRFKTLBHETJ-FDDCHVKYSA-N
Molecular Formula	C23H19BrO4
Exact Mass	439.299 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XQBNRFKTLBHETJ-FDDCHVKYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/XQBNRFKTLBHETJ-FDDCHVKYSA-N/CHMO0000593
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:10:24.535305
MetadataModified	2024-09-07T17:58:42.139587
MetadataPublished	2020-05-07
Related Molecule

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

Data-Source Molecule ID	Data-Source
146035850	PubChem
The data in this table is sourced from UniChem at EBI.