| SpectraBase Spectrum ID |
JFepCh1q0Ui |
| Name |
MBDB |
| CAS Registry Number |
103818-46-8 |
| Classification |
Methylenedioxyphenylbutanamine designer drug, stimulant, entactogenic |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
207.125928789 u |
| Formula |
C12H17NO2 |
| InChI |
InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3 |
| InChIKey |
USWVWJSAJAEEHQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
207.273 g/mol |
| Nominal Mass |
207 u |
| Quality |
927 |
| Retention Index |
1642 |
| SMILES |
C1=2C(=CC=C(C2)CC(NC)CC)OCO1 |
| SPLASH |
splash10-00di-9100000000-bb58aa08c18a6fb7f303 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-MBDB
N-Methyl-1-(1,3-benzodioxol-5-yl)butan-2-amine
[1-(1,3-Benzodioxol-5-yl)butan-2-yl](methyl)azan |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002830 |
