| SpectraBase Spectrum ID |
8JBxiASBE8m |
| Name |
DOIP isothiocyanate |
| Classification |
Amphetamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
279.129300092 u |
| Formula |
C15H21NO2S |
| InChI |
InChI=1S/C15H21NO2S/c1-10(2)13-8-14(17-4)12(7-15(13)18-5)6-11(3)16-9-19/h7-8,10-11H,6H2,1-5H3 |
| InChIKey |
XRVSDFSWUNTKIG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
279.398 g/mol |
| Nominal Mass |
279 u |
| Quality |
972 |
| Retention Index |
2031 |
| SMILES |
C1(=C(C=C(C(=C1)OC)CC(N=C=S)C)OC)C(C)C |
| SPLASH |
splash10-0006-1920000000-1e339d9267c201e4451f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-[3-(2,5-Dimethoxy-4-iso-propyl-phenyl)]-2-isothiocyanatopropane
1-(2-isothiocyanatopropyl)-2,5-dimethoxy-4-(propan-2-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016920 |
