Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C23H23NO6/c1-2-13-29-21(25)12-11-20(22(26)27)24-23(28)30-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-20H,1,11-14H2,(H,24,28)(H,26,27)/t20-/m1/s1
SMILES	C=CCOC(=O)CC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
InChI Key	LRBARFFNYOKIAX-HXUWFJFHSA-N
Molecular Formula	C23H23NO6
Exact Mass	409.432 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/LRBARFFNYOKIAX-HXUWFJFHSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/LRBARFFNYOKIAX-HXUWFJFHSA-N/CHMO0000595
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:19:54.246832
MetadataModified	2025-01-29T16:13:00.507298
MetadataPublished	2024-11-08

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : SVS-CC05166 Date : 20240320 Start time : 1.13 h Instrument : spect Label : SVS-2871 ID : 298032 Solvent : MeOD

Data-Source Molecule ID	Data-Source
11036992	PubChem
16101228	PubChem: Thomson Pharma
ZINC000002572446	ZINC
CB8698038	ChemicalBook
The data in this table is sourced from UniChem at EBI.