Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C80H42S20/c1-13-49(81-25-1)43-37-61(93-71(43)55-19-7-31-87-55)67-69(63-39-45(51-15-3-27-83-51)73(95-63)57-21-9-33-89-57)79(99-77(67)65-41-47(53-17-5-29-85-53)75(97-65)59-23-11-35-91-59)80-70(64-40-46(52-16-4-28-84-52)74(96-64)58-22-10-34-90-58)68(62-38-44(50-14-2-26-82-50)72(94-62)56-20-8-32-88-56)78(100-80)66-42-48(54-18-6-30-86-54)76(98-66)60-24-12-36-92-60/h1-42H
SMILES	c1csc(c1)c1cc(sc1c1cccs1)c1c(c2cc(c(s2)c2cccs2)c2cccs2)c(sc1c1sc(c(c1c1cc(c(s1)c1cccs1)c1cccs1)c1cc(c(s1)c1cccs1)c1cccs1)c1cc(c(s1)c1cccs1)c1cccs1)c1cc(c(s1)c1cccs1)c1cccs1
InChI Key	WEXFVPYRPFXPGE-UHFFFAOYSA-N
Exact Mass	1644.489 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/WEXFVPYRPFXPGE-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/WEXFVPYRPFXPGE-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-X25014 date : 20250221 starting time : 18.07 h instrument : spect label : SVS-3850 id : 356846 Solvent : chloroform-D1 (CDCl3)

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