Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C26H19Br/c27-24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H
SMILES	Brc1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI Key	MYJLJYSALGARCM-UHFFFAOYSA-N
Exact Mass	411.333 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MYJLJYSALGARCM-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/MYJLJYSALGARCM-UHFFFAOYSA-N/CHMO0000595
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-05-22T08:52:28Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2026-04-09 Start time : 06:27:42 UTC Creator : Sylvia Vanderheiden-Schroen Solvent : DMSO Temperature : 298.001983335669 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin Date : 2026-04-08 Start time : 19:31:30 UTC Creator : Sylvia Vanderheiden-Schroen Solvent : CDCl3 Temperature : 297.997641689857 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
12331161	surechembl
24882208	pubchem
DTXSID10647788	comptox
Molport-028-746-302	molport
The data in this table is sourced from UniChem at EBI.