| SpectraBase Spectrum ID |
2kPKd5gRYR6 |
| Name |
N-Benzylbutylone-A (-H2O) |
| Classification |
Designer drug analog artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
309.136493473 u |
| Formula |
C19H19NO3 |
| InChI |
InChI=1S/C19H19NO3/c1-3-16(20(2)12-14-7-5-4-6-8-14)19(21)15-9-10-17-18(11-15)23-13-22-17/h3-11H,12-13H2,1-2H3/b16-3- |
| InChIKey |
RYVWZEFGKVTDLC-XFQLMFQHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
309.365 g/mol |
| Nominal Mass |
309 u |
| Quality |
994 |
| Retention Index |
2430 |
| SMILES |
C=1(C(\C(N(CC=2C=CC=CC2)C)=C\C)=O)C=C2C(=CC1)OCO2 |
| SPLASH |
splash10-00kf-9300000000-c68c39e948295d3868cf |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(1,3-benzodioxol-5-yl)-2-(benzyl(methyl)amino)but-2-en-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010392 |
