Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H18IN/c21-19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2
SMILES	Ic1ccccc1N(Cc1ccccc1)Cc1ccccc1
InChI Key	FXROQSCGTOUNEH-UHFFFAOYSA-N
Molecular Formula	C20H18IN
Exact Mass	399.268 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/FXROQSCGTOUNEH-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/FXROQSCGTOUNEH-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	André Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:18:43.131572
MetadataModified	2024-09-07T22:57:44.901795
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
140173364	PubChem
The data in this table is sourced from UniChem at EBI.