Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H12IN/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6,11H,2,7H2,1H3
SMILES	CCCNc1ccccc1I
InChI Key	KPNZEUINWRAIER-UHFFFAOYSA-N
Molecular Formula	C9H12IN
Exact Mass	261.103 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/KPNZEUINWRAIER-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KPNZEUINWRAIER-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:58:07.200741
MetadataModified	2024-09-07T16:22:17.013195
MetadataPublished	2020-01-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
28977985	PubChem
SCHEMBL2170909	SureChEMBL
The data in this table is sourced from UniChem at EBI.