| SpectraBase Spectrum ID |
2og0BYzdBRo |
| Name |
N-Hexylbutylone-A (-H2O) |
| Classification |
Designer drug analog artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
303.183443666 u |
| Formula |
C18H25NO3 |
| InChI |
InChI=1S/C18H25NO3/c1-4-6-7-8-11-19(3)15(5-2)18(20)14-9-10-16-17(12-14)22-13-21-16/h5,9-10,12H,4,6-8,11,13H2,1-3H3/b15-5- |
| InChIKey |
KAYMENLNJBPWGK-WCSRMQSCSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
303.402 g/mol |
| Nominal Mass |
303 u |
| Quality |
987 |
| Retention Index |
2230 |
| SMILES |
C=1(C(\C(N(CCCCCC)C)=C\C)=O)C=C2C(=CC1)OCO2 |
| SPLASH |
splash10-0006-9300000000-69361c670e3931e0b4d2 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(1,3-benzodioxol-5-yl)-2-(hexyl(methyl)amino)but-2-en-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010384 |
