Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H17N/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,17H2
SMILES	Nc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	BPBOJZFNHXUUNG-UHFFFAOYSA-N
Molecular Formula	C16H17N
Exact Mass	223.313 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BPBOJZFNHXUUNG-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/BPBOJZFNHXUUNG-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:54:59.586267
MetadataModified	2024-09-07T23:45:42.603071
MetadataPublished	2022-11-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
10499921	eMolecules
SCHEMBL1767637	SureChEMBL
J984.966A	Nikkaji
CB83176245	ChemicalBook
DTXSID30143792	EPA CompTox Dashboard
10122-95-9	ACToR
139095	PubChem
15948465	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.