| SpectraBase Spectrum ID |
5YKCSHN6BZw |
| Name |
tBuONE |
| Classification |
Cathinone analog designer drug |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
249.136493473 u |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-9(15-14(2,3)4)13(16)10-5-6-11-12(7-10)18-8-17-11/h5-7,9,15H,8H2,1-4H3 |
| InChIKey |
BFOZYEAQPUMNIY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
249.310 g/mol |
| Nominal Mass |
249 u |
| Quality |
1000 |
| Retention Index |
1901 |
| SMILES |
C(NC(C)(C)C)(C(C=1C=C2C(=CC1)OCO2)=O)C |
| SPLASH |
splash10-0f6x-9700000000-604d93e02afeb2b4d542 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
MDPT
3,4-Methylenedioxy-tert-butylcathinone
1-(1,3-Benzodioxol-5-yl)-2-(tert-butylamino)propan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026944 |
