Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H15NO2/c15-7-11-5-10-3-4-12(6-13(10)14-11)16-8-9-1-2-9/h3-6,9,14-15H,1-2,7-8H2
SMILES	OCc1cc2c([nH]1)cc(cc2)OCC1CC1
InChI Key	LUENMAYUYMFEPN-UHFFFAOYSA-N
Molecular Formula	C13H15NO2
Exact Mass	217.264 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LUENMAYUYMFEPN-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LUENMAYUYMFEPN-UHFFFAOYSA-N/CHMO0000470
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:17:36.696468
MetadataModified	2024-09-08T01:17:36.696473
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL3626472	SureChEMBL
57608295	PubChem
The data in this table is sourced from UniChem at EBI.