Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C23H28Cl3NO8/c1-3-11-33-21-18(27-22(31)23(24,25)26)20(35-17(29)10-9-14(2)28)19(30)16(34-21)13-32-12-15-7-5-4-6-8-15/h3-8,16,18-21,30H,1,9-13H2,2H3,(H,27,31)/t16-,18-,19-,20-,21-/m1/s1
SMILES	C=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)OC(=O)CCC(=O)C)O
InChI Key	QAADRPZZXHPPSN-GHRYLNIYSA-N
Molecular Formula	C23H28Cl3NO8
Exact Mass	552.829 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/QAADRPZZXHPPSN-GHRYLNIYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/QAADRPZZXHPPSN-GHRYLNIYSA-N/NMR/1H/CDCl3/400
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:43:17.509921
MetadataModified	2024-09-07T12:08:25.683845
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427292	PubChem
The data in this table is sourced from UniChem at EBI.