SpectraBase Spectrum ID |
JJE8sHp2264 |
Name |
Betahistine |
CAS Registry Number |
5638-76-6 |
Classification |
Pharmaceutical drug, anti-vertigo |
Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
136.100048394 u |
Formula |
C8H12N2 |
InChI |
InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3 |
InChIKey |
UUQMNUMQCIQDMZ-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
136.198 g/mol |
Nominal Mass |
136 u |
Quality |
978 |
Retention Index |
1166 |
SMILES |
C1(CCNC)=NC=CC=C1 |
SPLASH |
splash10-0006-9100000000-12b031cba8ac46928f3c |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-(beta-Methylaminoethyl)pyridine
N-methyl-2-(2-pyridinyl)ethanamine |
Technique |
GC/MS |
Wiley ID |
DD2024_032285 |