Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C76H56S15/c1-37-11-21-54(77-37)49-32-64(87-72(49)59-26-16-42(6)82-59)47-31-48(65-33-50(55-22-12-38(2)78-55)73(88-65)60-27-17-43(7)83-60)70(67-35-52(57-24-14-40(4)80-57)75(90-67)62-29-19-45(9)85-62)71(68-36-53(58-25-15-41(5)81-58)76(91-68)63-30-20-46(10)86-63)69(47)66-34-51(56-23-13-39(3)79-56)74(89-66)61-28-18-44(8)84-61/h11-36H,1-10H3
SMILES	Cc1ccc(s1)c1cc(sc1c1ccc(s1)C)c1c(c2sc(c(c2)c2ccc(s2)C)c2ccc(s2)C)c(cc(c1c1sc(c(c1)c1ccc(s1)C)c1ccc(s1)C)c1sc(c(c1)c1ccc(s1)C)c1ccc(s1)C)c1sc(c(c1)c1ccc(s1)C)c1ccc(s1)C
InChI Key	ZBMQFBHPMOWAOE-UHFFFAOYSA-N
Exact Mass	1450.233 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/ZBMQFBHPMOWAOE-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ZBMQFBHPMOWAOE-UHFFFAOYSA-N/CHMO0000595
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-11-29 Start time : 19:14:15 UTC Creator : Sylvia Vanderheiden-Schroen Label : ComP-26991 ID : 355556 Solvent : CDCl3 Temperature : 297.999408290566 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

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