Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

InChI	InChI=1S/C41H28OS8/c1-21-5-9-25(43-21)29-13-17-33(47-29)37-38(34-18-14-30(48-34)26-10-6-22(2)44-26)40(36-20-16-32(50-36)28-12-8-24(4)46-28)41(42)39(37)35-19-15-31(49-35)27-11-7-23(3)45-27/h5-20H,1-4H3
SMILES	Cc1ccc(s1)c1ccc(s1)C1=C(c2ccc(s2)c2ccc(s2)C)C(=O)C(=C1c1ccc(s1)c1ccc(s1)C)c1ccc(s1)c1ccc(s1)C
InChI Key	MBFFLPDXDDXWBW-UHFFFAOYSA-N
Exact Mass	793.180 g/mol

Data and Resources

• 1H--13C heteronuclear single quantum coherence...HTML
  Go to source

• 1h13c-heteronuclear...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MBFFLPDXDDXWBW-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/MBFFLPDXDDXWBW-UHFFFAOYSA-N/CHMO0001146
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	date : 2025-10-10 starting time : 07:29:47 UTC creator : Sylvia Vanderheiden-Schroen label : SVS-4028 id : 390075 Solvent : CDCl3 temperature : 298.069174047409 K PULPROG : hsqcedetgp number of scans : 2 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
177747858	pubchem
The data in this table is sourced from UniChem at EBI.