| SpectraBase Spectrum ID |
DnPKDbdspFo |
| Name |
Elemicin |
| CAS Registry Number |
487-11-6 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3 |
| InChIKey |
BPLQKQKXWHCZSS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Quality |
997 |
| Retention Index |
1500 |
| SMILES |
C1(=C(C(=CC(=C1)CC=C)OC)OC)OC |
| SPLASH |
splash10-0a4l-6930000000-1cdd7552dd97c4ba9f56 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,2,3-Trimethoxy-5-(2-propenyl)benzene
5-Allyl-1,2,3-trimethoxybenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008292 |
