Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H23N/c1-2-3-4-5-6-9-13-17-14-12-15-10-7-8-11-16(15)17/h7-8,10-12,14H,2-6,9,13H2,1H3
SMILES	CCCCCCCCn1ccc2c1cccc2
InChI Key	VOWUHKQBOIRNJT-UHFFFAOYSA-N
Molecular Formula	C16H23N
Exact Mass	229.361 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/VOWUHKQBOIRNJT-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/VOWUHKQBOIRNJT-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:47:15.936149
MetadataModified	2024-09-07T14:39:39.518968
MetadataPublished	2019-01-30

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL4976386	SureChEMBL
DTXSID70510883	EPA CompTox Dashboard
12827273	PubChem
J3.387.709I	Nikkaji
The data in this table is sourced from UniChem at EBI.