Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

InChI	InChI=1S/C30H12Br6S6/c31-19-7-1-13(37-19)25-26(14-2-8-20(32)38-14)28(16-4-10-22(34)40-16)30(18-6-12-24(36)42-18)29(17-5-11-23(35)41-17)27(25)15-3-9-21(33)39-15/h1-12H
SMILES	Brc1ccc(s1)c1c(c2ccc(s2)Br)c(c2ccc(s2)Br)c(c(c1c1ccc(s1)Br)c1ccc(s1)Br)c1ccc(s1)Br
InChI Key	YSDMWPXYHKHPEB-UHFFFAOYSA-N
Exact Mass	1044.230 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YSDMWPXYHKHPEB-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/YSDMWPXYHKHPEB-UHFFFAOYSA-N/CHMO0001148
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	date : 2025-12-01 starting time : 19:59:11 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-27237 id : 354065 Solvent : CDCl3 temperature : 297.993060504965 K PULPROG : hmbcgpndqf number of scans : 8 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
177747862	pubchem
The data in this table is sourced from UniChem at EBI.