SpectraBase Spectrum ID |
8JBiG2ustVI |
Name |
3,4-Methylenedioxymethamphetamine AC |
CAS Registry Number |
181765-92-4 |
Classification |
Methylenedioxyamphetamine designer drug derivative |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
235.120843408 u |
Formula |
C13H17NO3 |
InChI |
InChI=1S/C13H17NO3/c1-9(14(3)10(2)15)6-11-4-5-12-13(7-11)17-8-16-12/h4-5,7,9H,6,8H2,1-3H3 |
InChIKey |
YETLZLXFTJYZMU-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
235.283 g/mol |
Nominal Mass |
235 u |
Quality |
993 |
Retention Index |
1801 |
SMILES |
C1=2C(=CC(CC(N(C(=O)C)C)C)=CC2)OCO1 |
SPLASH |
splash10-0a4i-9500000000-e348fb0226d97cceff4b |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
MDMA AC
N-(1-(1,3-benzodioxol-5-yl)propan-2-yl)-N-methylacetamide |
Technique |
GC/MS |
Wiley ID |
DD2024_033191 |