Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C50H40N2O4S2/c1-53-43-21-13-39(14-22-43)51(40-15-23-44(54-2)24-16-40)37-9-5-35(6-10-37)49-33-31-47(57-49)29-30-48-32-34-50(58-48)36-7-11-38(12-8-36)52(41-17-25-45(55-3)26-18-41)42-19-27-46(56-4)28-20-42/h5-28,31-34H,1-4H3
SMILES	COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1ccc(s1)C#Cc1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC
InChI Key	WXWZGZUOAZTPIW-UHFFFAOYSA-N
Exact Mass	796.994 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WXWZGZUOAZTPIW-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/WXWZGZUOAZTPIW-UHFFFAOYSA-N/CHMO0000595
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-11-02 Start time : 01:20:18 UTC Creator : Sylvia Vanderheiden-Schroen Label : ComP-26752 ID : 355281 Solvent : CDCl3 Temperature : 297.999887368725 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
177693367	pubchem
The data in this table is sourced from UniChem at EBI.