Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C10H11ClN2O4/c1-6-3-8(13(15)16)9(17-2)4-7(6)12-10(14)5-11/h3-4H,5H2,1-2H3,(H,12,14)
SMILES	ClCC(=O)Nc1cc(OC)c(cc1C)[N+](=O)[O-]
InChI Key	DVKLSAODRDRXGI-UHFFFAOYSA-N
Molecular Formula	C10H11ClN2O4
Exact Mass	258.658 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source	https://www.chemotion-repository.net/inchikey/DVKLSAODRDRXGI-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:16:54.563489
MetadataModified	2024-09-07T13:40:19.706552
MetadataPublished	2014-07-30

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

Data-Source Molecule ID	Data-Source
15225263	eMolecules
MCULE-6790859415	Mcule
4658349	PubChem
ZINC000005516885	ZINC
The data in this table is sourced from UniChem at EBI.