For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
SpectraBase Compound ID IrIYSX0jLbg
InChI InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKey PLRACCBDVIHHLZ-UHFFFAOYSA-N
Mol Weight 173.26 g/mol
Molecular Formula C12H15N
Exact Mass 173.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DNFjJxBr9xW
Name MPTP
CAS Registry Number 28289-54-5
Classification Neurotoxic
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 173.120449487 u
Formula C12H15N
InChI InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKey PLRACCBDVIHHLZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 173.259 g/mol
Nominal Mass 173 u
Quality 977
Retention Index 1483
SMILES C1(C2=CCN(CC2)C)=CC=CC=C1
SPLASH splash10-00di-3900000000-aca55399ff2f35dfca09
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Pyridine,1,2,3,6-tetrahydro-1-methyl-4-phenyl 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Technique GC/MS
Wiley ID DD2024_029464