Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C10H8ClN3O3/c1-17-9(15)5-14-10(16)7-4-6(11)2-3-8(7)12-13-14/h2-4H,5H2,1H3
SMILES	COC(=O)Cn1nnc2c(c1=O)cc(cc2)Cl
InChI Key	JHRVUTPLWIXMJB-UHFFFAOYSA-N
Molecular Formula	C10H8ClN3O3
Exact Mass	253.642 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JHRVUTPLWIXMJB-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source	https://www.chemotion-repository.net/inchikey/JHRVUTPLWIXMJB-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:24:08.831624
MetadataModified	2024-09-07T13:52:11.413666
MetadataPublished	2014-09-23
Related Molecule

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

Data-Source Molecule ID	Data-Source
13442351	PubChem
The data in this table is sourced from UniChem at EBI.