Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+
SMILES	CO/N=C/c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	JKQHPBPRTZLGQK-CPNJWEJPSA-N
Molecular Formula	C18H19NO
Exact Mass	265.350 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/JKQHPBPRTZLGQK-CPNJWEJPSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/JKQHPBPRTZLGQK-CPNJWEJPSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:07:13.162210
MetadataModified	2024-09-07T16:34:37.128783
MetadataPublished	2020-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145915839	PubChem
J2.316.050A	Nikkaji
The data in this table is sourced from UniChem at EBI.