| SpectraBase Spectrum ID |
1r1KCHr198s |
| Name |
MDA precursor-2 (isosafrole) @ |
| CAS Registry Number |
120-58-1 |
| Classification |
Chemical |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
162.068079560 u |
| Formula |
C10H10O2 |
| InChI |
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+ |
| InChIKey |
VHVOLFRBFDOUSH-NSCUHMNNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
162.188 g/mol |
| SMILES |
c1c2c(cc(c1)\C=C\C)OCO2 |
| SPLASH |
splash10-0w29-7900000000-48829b33f537e712e3bc |
| 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 |
| Synonyms |
MDEA precursor-2 (isosafrole)
MDMA precursor-2 (isosafrole) |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3276 |
