Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H21NO7/c1-11(2,3)19-10(17)12-6-8(15)7(14)5(4-13)18-9(6)16/h5-9,13-16H,4H2,1-3H3,(H,12,17)/t5-,6-,7-,8-,9?/m1/s1
SMILES	OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)OC(C)(C)C
InChI Key	CQWFSMWAGKKQJB-VARJHODCSA-N
Molecular Formula	C11H21NO7
Exact Mass	279.287 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CQWFSMWAGKKQJB-VARJHODCSA-N/NMR/13C/MeOD/100
License URL
Source	https://www.chemotion-repository.net/inchikey/CQWFSMWAGKKQJB-VARJHODCSA-N/NMR/13C/MeOD/100
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:24:08.272589
MetadataModified	2024-09-07T12:32:29.054010
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
J1.803.005E	Nikkaji
DTXSID90553959	EPA CompTox Dashboard
SCHEMBL18528477	SureChEMBL
26752087	eMolecules
13998612	PubChem
The data in this table is sourced from UniChem at EBI.