| 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 |
