Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H14IN/c1-11-6-8-12(9-7-11)10-16-14-5-3-2-4-13(14)15/h2-9,16H,10H2,1H3
SMILES	Cc1ccc(cc1)CNc1ccccc1I
InChI Key	PKGSVPTXNGODPM-UHFFFAOYSA-N
Molecular Formula	C14H14IN
Exact Mass	323.172 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PKGSVPTXNGODPM-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/PKGSVPTXNGODPM-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:58:45.919796
MetadataModified	2024-09-07T16:23:00.271111
MetadataPublished	2020-01-20

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
28878568	PubChem
The data in this table is sourced from UniChem at EBI.