| SpectraBase Spectrum ID |
8I58TM4xtse |
| Name |
Isosafrole |
| CAS Registry Number |
120-58-1 |
| Classification |
Designer drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and 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 |
Chemical Ionization (CI) |
| Molecular Weight |
162.188 g/mol |
| Nominal Mass |
162 u |
| Reagent Gas |
Methane |
| Retention Index |
1220 |
| SMILES |
C1=2C(=CC=C(C2)\C=C\C)OCO1 |
| SPLASH |
splash10-03di-0900000000-00022b0dc97af009e05a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-Prop-1-enylbenzo[1,3]dioxole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001787 |
