Dataset

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

Chemical Information

InChI	InChI=1S/C47H34O2S4/c1-48-47(49-2)45(41-29-25-37(52-41)33-19-11-5-12-20-33)43(39-27-23-35(50-39)31-15-7-3-8-16-31)44(40-28-24-36(51-40)32-17-9-4-10-18-32)46(47)42-30-26-38(53-42)34-21-13-6-14-22-34/h3-30H,1-2H3
SMILES	COC1(OC)C(=C(C(=C1c1ccc(s1)c1ccccc1)c1ccc(s1)c1ccccc1)c1ccc(s1)c1ccccc1)c1ccc(s1)c1ccccc1
InChI Key	PRPPWJYUZWUXPD-UHFFFAOYSA-N
Exact Mass	759.032 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PRPPWJYUZWUXPD-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/PRPPWJYUZWUXPD-UHFFFAOYSA-N/CHMO0001148
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	date : 2025-08-16 starting time : 14:28:03 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-26717 id : 355358 Solvent : CDCl3 temperature : 297.989976439319 K PULPROG : hmbcgpndqf number of scans : 8 scans instrument : Avance NEO 400 Name : TopSpin

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