Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H8N2O4/c1-17-11(14)8-5-6-12-10-7(8)3-2-4-9(10)13(15)16/h2-6H,1H3
SMILES	COC(=O)c1ccnc2c1cccc2[N+](=O)[O-]
InChI Key	XFVCWGHZEIJTLQ-UHFFFAOYSA-N
Molecular Formula	C11H8N2O4
Exact Mass	232.192 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XFVCWGHZEIJTLQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/XFVCWGHZEIJTLQ-UHFFFAOYSA-N/CHMO0000595
Version
Author	Alexander Hoffmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:05:29.237118
MetadataModified	2025-01-29T15:59:15.907793
MetadataPublished	2024-10-10

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

Data-Source Molecule ID	Data-Source
SCHEMBL11973794	SureChEMBL
68183455	PubChem
The data in this table is sourced from UniChem at EBI.