Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C25H28N2O6/c1-2-15-32-24(30)26-14-8-7-13-22(23(28)29)27-25(31)33-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-6,9-12,21-22H,1,7-8,13-16H2,(H,26,30)(H,27,31)(H,28,29)/t22-/m1/s1
SMILES	C=CCOC(=O)NCCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
InChI Key	OJBNDXHENJDCBA-JOCHJYFZSA-N
Molecular Formula	C25H28N2O6
Exact Mass	452.500 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OJBNDXHENJDCBA-JOCHJYFZSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/OJBNDXHENJDCBA-JOCHJYFZSA-N/CHMO0000595
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:18:55.274440
MetadataModified	2025-01-29T16:12:03.588859
MetadataPublished	2024-11-08

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

Data-Source Molecule ID	Data-Source
51340505	PubChem
ZINC000015722156	ZINC
DTXSID40679799	EPA CompTox Dashboard
CB6365103	ChemicalBook
8829870	eMolecules
SCHEMBL178771	SureChEMBL
The data in this table is sourced from UniChem at EBI.