Dataset

4-OCTYLANILINE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004178 contains the MS mass spectrum of 4-OCTYLANILINE with the InChIkey ORKQJTBYQZITLA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
SMILES CCCCCCCCc(c1)ccc(N)c1
InChI Key ORKQJTBYQZITLA-UHFFFAOYSA-N
Molecular Formula C14H23N
Exact Mass 205.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004178
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:33.354973
MetadataModified 2024-01-11T15:57:33.556197
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J46.001J Nikkaji
SCHEMBL111952 SureChEMBL
O9FN212WZZ FDA SRS
DTXSID6022266 EPA CompTox Dashboard
CB7276222 ChemicalBook
ZINC000002567979 ZINC
16245-79-7 ACToR
85346 PubChem
16594003 PubChem: Thomson Pharma
490452 eMolecules
MCULE-5354184296 Mcule
The data in this table is sourced from UniChem at EBI.