Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H15N3O3/c1-8(9(2)17)14-15-10-4-5-12(18-3)11(6-10)13-7-16/h4-7,15H,1-3H3,(H,13,16)/b14-8+
SMILES	O=CNc1cc(N/N=C(/C(=O)C)\C)ccc1OC
InChI Key	WPBCYIDVZMJOFN-RIYZIHGNSA-N
Molecular Formula	C12H15N3O3
Exact Mass	249.266 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WPBCYIDVZMJOFN-RIYZIHGNSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/WPBCYIDVZMJOFN-RIYZIHGNSA-N/CHMO0000593
Version
Author	Lena J. Daumann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:51:24.196462
MetadataModified	2024-09-07T23:40:57.745407
MetadataPublished	2022-11-02
Related Molecule

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

Data-Source Molecule ID	Data-Source
165416613	PubChem
The data in this table is sourced from UniChem at EBI.