Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H16N2O2/c1-20-17(21-2)16-15(12-8-4-3-5-9-12)18-13-10-6-7-11-14(13)19-16/h3-11,17H,1-2H3
SMILES	COC(c1nc2ccccc2nc1c1ccccc1)OC
InChI Key	NKVQNROMANDENA-UHFFFAOYSA-N
Molecular Formula	C17H16N2O2
Exact Mass	280.321 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NKVQNROMANDENA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NKVQNROMANDENA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:55:59.977191
MetadataModified	2024-09-07T17:38:52.892107
MetadataPublished	2020-04-12

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163559644	PubChem: Thomson Pharma
J3.164.333C	Nikkaji
71559491	PubChem
The data in this table is sourced from UniChem at EBI.