Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H15N3O4/c1-8(12(17)19-3)14-15-9-4-5-11(18-2)10(6-9)13-7-16/h4-7,15H,1-3H3,(H,13,16)/b14-8+
SMILES	O=CNc1cc(N/N=C(/C(=O)OC)\C)ccc1OC
InChI Key	OJRNGUZULVWEHY-RIYZIHGNSA-N
Molecular Formula	C12H15N3O4
Exact Mass	265.265 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OJRNGUZULVWEHY-RIYZIHGNSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/OJRNGUZULVWEHY-RIYZIHGNSA-N/CHMO0000593
Version
Author	Lena J. Daumann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:50:32.803624
MetadataModified	2024-09-07T23:39:47.993466
MetadataPublished	2022-11-02
Related Molecule

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

Data-Source Molecule ID	Data-Source
165416611	PubChem
The data in this table is sourced from UniChem at EBI.