SpectraBase Spectrum ID |
JFQwjN4rSyG |
Name |
Tolperisone-A |
CAS Registry Number |
30469-66-0 |
Classification |
Pharmaceutical drug artifact |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
160.088815005 u |
Formula |
C11H12O |
InChI |
InChI=1S/C11H12O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3 |
InChIKey |
PNVVYDQOGSAAHV-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
160.216 g/mol |
Nominal Mass |
160 u |
Quality |
835 |
Retention Index |
1170 |
SMILES |
C=1(C(C(=C)C)=O)C=CC(=CC1)C |
SPLASH |
splash10-014i-5900000000-9bb19178b12a22b9e3e2 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(4-Methylphenyl)-3-buten-1-one |
Technique |
GC/MS |
Wiley ID |
DD2024_007888 |