Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C36H32O8/c1-41-33(37)27-15-13-25(19-31(27)35(39)43-3)29-17-21-5-6-22-8-10-24(12-11-23(29)9-7-21)30(18-22)26-14-16-28(34(38)42-2)32(20-26)36(40)44-4/h7-10,13-20H,5-6,11-12H2,1-4H3
SMILES	COC(=O)c1cc(ccc1C(=O)OC)c1cc2ccc1CCc1ccc(CC2)cc1c1ccc(c(c1)C(=O)OC)C(=O)OC
InChI Key	VJNUYUKQJFYKQS-UHFFFAOYSA-N
Exact Mass	592.634 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/VJNUYUKQJFYKQS-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/VJNUYUKQJFYKQS-UHFFFAOYSA-N/CHMO0000595
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-03-23
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-07-27 Start time : 10:46:50 UTC Creator : Yuting Li Label : YTL-1200 ID : 377978 Solvent : CDCl3 Temperature : 298.0002 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO Name : TopSpin

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