| SpectraBase Spectrum ID |
LrwyM8SclgC |
| Name |
Pentedrone |
| CAS Registry Number |
879669-95-1 |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
191.131014170 u |
| Formula |
C12H17NO |
| InChI |
InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3 |
| InChIKey |
WLIWIUNEJRETFX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
191.274 g/mol |
| SMILES |
c1cc(C(C(CCC)NC)=O)ccc1 |
| SPLASH |
splash10-000i-9200000000-767f6c813bce0465353f |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_10268 |
