Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C22H19NO2/c24-23(25)21-13-11-20(12-14-21)22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15H,5-7,9H2
SMILES	[O-][N+](=O)c1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	XRZQCHKTIVOMJE-UHFFFAOYSA-N
Molecular Formula	C22H19NO2
Exact Mass	329.392 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XRZQCHKTIVOMJE-UHFFFAOYSA-N/CHMO0000480
License URL
Source	https://www.chemotion-repository.net/inchikey/XRZQCHKTIVOMJE-UHFFFAOYSA-N/CHMO0000480
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:38:24.073958
MetadataModified	2024-09-08T03:38:24.073965
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145707042	PubChem
MIMDEV	CCDC
The data in this table is sourced from UniChem at EBI.