Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C30H27Br3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-21H,1-3H3
SMILES	CC(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(Br)C)c1ccc(cc1)C(Br)C)Br
InChI Key	DDJAVIQLRHCWQT-UHFFFAOYSA-N
Molecular Formula	C30H27Br3
Exact Mass	627.247 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DDJAVIQLRHCWQT-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/DDJAVIQLRHCWQT-UHFFFAOYSA-N/CHMO0000593
Version
Author	Isabelle Wessely
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:39:46.504354
MetadataModified	2024-09-07T18:38:13.881950
MetadataPublished	2020-08-26

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

Data-Source Molecule ID	Data-Source
154573666	PubChem
The data in this table is sourced from UniChem at EBI.