Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C9H12N2O2/c1-10(2)7-8-5-3-4-6-9(8)11(12)13/h3-6H,7H2,1-2H3
SMILES	CN(Cc1ccccc1[N+](=O)[O-])C
InChI Key	FCAMUPIRWKNASD-UHFFFAOYSA-N
Molecular Formula	C9H12N2O2
Exact Mass	180.204 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/FCAMUPIRWKNASD-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/FCAMUPIRWKNASD-UHFFFAOYSA-N/CHMO0000595
Version
Author	Sonja Herres-Pawlis
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:40:28.560696
MetadataModified	2024-09-07T17:17:44.539350
MetadataPublished	2020-02-28
Related Molecule

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

Data-Source Molecule ID	Data-Source
SCHEMBL250143	SureChEMBL
420851	PubChem
ZINC000001716744	ZINC
The data in this table is sourced from UniChem at EBI.