Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C20H24Cl3NO7/c1-3-9-29-18-15(24-19(27)20(21,22)23)16(26)17(30-12(2)25)14(31-18)11-28-10-13-7-5-4-6-8-13/h3-8,14-18,26H,1,9-11H2,2H3,(H,24,27)/t14-,15-,16-,17-,18-/m1/s1
SMILES	C=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)O)OC(=O)C
InChI Key	CPWPYKROAWGMGK-DUQPFJRNSA-N
Molecular Formula	C20H24Cl3NO7
Exact Mass	496.766 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/CPWPYKROAWGMGK-DUQPFJRNSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/CPWPYKROAWGMGK-DUQPFJRNSA-N/NMR/1H/CDCl3/400
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:53:48.943590
MetadataModified	2024-09-07T13:16:47.205250
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427406	PubChem
J2.082.268F	Nikkaji
The data in this table is sourced from UniChem at EBI.