Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C41H29NO4/c1-45-39(43)32-18-12-19-33(40(44)46-2)38(32)42(26-13-4-3-5-14-26)27-23-24-31-30-17-8-11-22-36(30)41(37(31)25-27)34-20-9-6-15-28(34)29-16-7-10-21-35(29)41/h3-25H,1-2H3
SMILES	COC(=O)c1cccc(c1N(c1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3)c1ccccc1)C(=O)OC
InChI Key	XQDRTKFBESTNKB-UHFFFAOYSA-N
Exact Mass	599.673 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/XQDRTKFBESTNKB-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/XQDRTKFBESTNKB-UHFFFAOYSA-N/CHMO0000595
Version
Author	Janine Haug
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-16
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
176528101	pubchem
The data in this table is sourced from UniChem at EBI.