Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H13NO3/c1-8-2-5-10(6-11(8)12(13)14)15-7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3
SMILES	[O-][N+](=O)c1cc(OCC2CC2)ccc1C
InChI Key	NIRHPYIZGJDJAC-UHFFFAOYSA-N
Molecular Formula	C11H13NO3
Exact Mass	207.226 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NIRHPYIZGJDJAC-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NIRHPYIZGJDJAC-UHFFFAOYSA-N/CHMO0000470
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:21:01.761614
MetadataModified	2024-09-08T01:21:01.761619
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
57517515	PubChem
SCHEMBL2552169	SureChEMBL
MCULE-9499967754	Mcule
The data in this table is sourced from UniChem at EBI.