| SpectraBase Spectrum ID |
JHxqCE7U88m |
| Name |
Drofenine |
| CAS Registry Number |
1679-76-1 |
| Classification |
Pharmaceutical drug, antispasmodic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
317.235479240 u |
| Formula |
C20H31NO2 |
| InChI |
InChI=1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3 |
| InChIKey |
AGJBLWCLQCKRJP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.473 g/mol |
| Nominal Mass |
317 u |
| Quality |
997 |
| Retention Index |
2180 |
| SMILES |
C(C1=CC=CC=C1)(C1CCCCC1)C(OCCN(CC)CC)=O |
| SPLASH |
splash10-000i-9000000000-a93041f17b9de30fe1e6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(diethylamino)ethyl cyclohexyl(phenyl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006497 |
