Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H16Cl3NO6/c1-2-3-20-9-6(15-10(19)11(12,13)14)8(18)7(17)5(4-16)21-9/h2,5-9,16-18H,1,3-4H2,(H,15,19)/t5-,6-,7-,8-,9-/m1/s1
SMILES	C=CCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)O)O
InChI Key	JETTVCYMEIOQIR-JGKVKWKGSA-N
Molecular Formula	C11H16Cl3NO6
Exact Mass	364.607 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JETTVCYMEIOQIR-JGKVKWKGSA-N/NMR/1H/DMSO/400
License URL
Source	https://www.chemotion-repository.net/inchikey/JETTVCYMEIOQIR-JGKVKWKGSA-N/NMR/1H/DMSO/400
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:54:22.270832
MetadataModified	2024-09-07T13:17:35.711094
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427295	PubChem
The data in this table is sourced from UniChem at EBI.