| SpectraBase Spectrum ID |
GYPunE0nF7Q |
| Name |
Demelverine |
| CAS Registry Number |
13977-33-8 |
| Classification |
Pharmaceutical drug, spasmolytic |
| 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 |
239.167399680 u |
| Formula |
C17H21N |
| InChI |
InChI=1S/C17H21N/c1-18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3 |
| InChIKey |
XVWQQNARVMHZBP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
239.362 g/mol |
| Nominal Mass |
239 u |
| Quality |
986 |
| Retention Index |
1856 |
| SMILES |
C=1(CCN(CCC2=CC=CC=C2)C)C=CC=CC1 |
| SPLASH |
splash10-052b-3900000000-70ab57011172f45163a2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Demelverina
Methphenethamin
N-Methyl-N-phenethyl-2-phenyl-ethanamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005186 |
