Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C23H19BrO3/c1-13-11-18-20(25)15-7-3-4-8-16(15)21(26)23(18,12-14(13)2)22(27)17-9-5-6-10-19(17)24/h3-10,18H,11-12H2,1-2H3
SMILES	CC1=C(C)CC2(C(C1)C(=O)c1ccccc1C2=O)C(=O)c1ccccc1Br
InChI Key	VQHSHKAJCSLGOP-UHFFFAOYSA-N
Molecular Formula	C23H19BrO3
Exact Mass	423.299 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VQHSHKAJCSLGOP-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/VQHSHKAJCSLGOP-UHFFFAOYSA-N/CHMO0000593
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:12:48.330120
MetadataModified	2024-09-07T18:01:49.185394
MetadataPublished	2020-05-07
Related Molecule

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

Data-Source Molecule ID	Data-Source
146035834	PubChem
The data in this table is sourced from UniChem at EBI.