| SpectraBase Spectrum ID |
DlvKhDUSABE |
| Name |
Pentylone-A (-2H) |
| Classification |
Designer drug side product |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
233.105193344 u |
| Formula |
C13H15NO3 |
| InChI |
InChI=1S/C13H15NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10H,2-4,8H2,1H3 |
| InChIKey |
OCDVIXHWBAKVLH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
233.267 g/mol |
| Nominal Mass |
233 u |
| Quality |
988 |
| Retention Index |
1789 |
| SMILES |
C=1(C(C(CCC)N=C)=O)C=C2C(=CC1)OCO2 |
| SPLASH |
splash10-001i-9000000000-bf42c17b64179354ecb2 |
| Sample Comments |
Position of pi-bond uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(1,3-benzodioxol-5-yl)-2-(methylideneamino)pentan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012785 |
