| SpectraBase Spectrum ID |
JGwKVCRcWBM |
| Name |
Dihydrosafrole |
| CAS Registry Number |
94-58-6 |
| Classification |
Designer drug precursor |
| 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 |
164.083729624 u |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3 |
| InChIKey |
MYEIDJPOUKASEC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
978 |
| Retention Index |
1232 |
| SMILES |
C1=2C(=CC=C(C2)CCC)OCO1 |
| SPLASH |
splash10-000i-4900000000-6ce94795adc83953650e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-Benzodioxole,5-propyl-
5-Propyl-1,3-benzodioxole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002262 |
