Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3
SMILES	CC(c1ccc2c(c1)c1cc(ccc1[nH]2)C(C)(C)C)(C)C
InChI Key	OYFFSPILVQLRQA-UHFFFAOYSA-N
Molecular Formula	C20H25N
Exact Mass	279.419 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/OYFFSPILVQLRQA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OYFFSPILVQLRQA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:13:40.222214
MetadataModified	2024-09-08T04:13:40.222218
MetadataPublished	2024-07-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL29535	SureChEMBL
CB5166721	ChemicalBook
DTXSID90573056	EPA CompTox Dashboard
15469209	PubChem
35877958	eMolecules
ZINC000002580729	ZINC
IYIXAR	CCDC
J89.168A	Nikkaji
The data in this table is sourced from UniChem at EBI.