| SpectraBase Spectrum ID |
JHpMjWSoTs8 |
| Name |
N-Butylbutylone-A (-H2O) |
| Classification |
Designer drug analog artifact |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
275.152143537 u |
| Formula |
C16H21NO3 |
| InChI |
InChI=1S/C16H21NO3/c1-4-6-9-17(3)13(5-2)16(18)12-7-8-14-15(10-12)20-11-19-14/h5,7-8,10H,4,6,9,11H2,1-3H3/b13-5- |
| InChIKey |
OTFOGWGXZCSFKM-ACAGNQJTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
275.348 g/mol |
| Nominal Mass |
275 u |
| Quality |
994 |
| Retention Index |
2050 |
| SMILES |
C=1(C(\C(N(CCCC)C)=C\C)=O)C=C2C(=CC1)OCO2 |
| SPLASH |
splash10-007x-9210000000-2832912a84b33e481d21 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(1,3-benzodioxol-5-yl)-2-(butyl(methyl)amino)but-2-en-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010382 |
