Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C40H26Br2S9/c1-19-5-9-25(43-19)23-17-31(49-37(23)27-11-7-21(3)45-27)35-36(40(30-14-16-34(42)48-30)51-39(35)29-13-15-33(41)47-29)32-18-24(26-10-6-20(2)44-26)38(50-32)28-12-8-22(4)46-28/h5-18H,1-4H3
SMILES	Brc1ccc(s1)c1sc(c(c1c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1ccc(s1)Br
InChI Key	IRGZYWXCPQUKOM-UHFFFAOYSA-N
Exact Mass	955.027 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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• chmo0000593

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IRGZYWXCPQUKOM-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/IRGZYWXCPQUKOM-UHFFFAOYSA-N/CHMO0000593
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-08-28
Related Molecule

Field	Value
Measurement Technique	CHMO:0000593
Measurement Variables	temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : SVS-X25803 date : 20250221 starting time : 19.08 h instrument : spect label : SVS-3855 id : 356890 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.