Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H7N3O3/c15-10-5-2-1-3-7-8(5)6(4-12-7)9(11(16)17)13-14-10/h1-4,12H,(H,14,15)(H,16,17)
SMILES	OC(=O)C1=NNC(=O)c2c3c1c[nH]c3ccc2
InChI Key	DRRJDSUMVPRFOC-UHFFFAOYSA-N
Molecular Formula	C11H7N3O3
Exact Mass	229.192 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/DRRJDSUMVPRFOC-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source	https://www.chemotion-repository.net/inchikey/DRRJDSUMVPRFOC-UHFFFAOYSA-N/CHMO0000595.1
Version
Author	Andreas Link
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:07:24.859581
MetadataModified	2025-01-29T16:01:08.140892
MetadataPublished	2024-10-14

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 299.1 K K Puls programme : zgpg30 Number of scans : 1024 Title : FP Date : 20210505 Start time : 16.43 Instrument : spect Label : CWG-139 ID : 112058 Solvent : DMSO

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.