SpectraBase Spectrum ID |
8Fbmt23h8lc |
Name |
2-APB CS2 |
Classification |
Benzofurane analog designer drug derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
217.056135151 u |
Formula |
C12H11NOS |
InChI |
InChI=1S/C12H11NOS/c1-9(13-8-15)6-11-7-10-4-2-3-5-12(10)14-11/h2-5,7,9H,6H2,1H3 |
InChIKey |
FUGZCMOEKWIQIS-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
217.286 g/mol |
Nominal Mass |
217 u |
Quality |
998 |
Retention Index |
1837 |
SMILES |
C=12C(C=C(O2)CC(N=C=S)C)=CC=CC1 |
SPLASH |
splash10-001i-2910000000-a1fadbf20e063036e82f |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(1-Benzofuran-2-yl)-2-isothiocyanatopropane |
Technique |
GC/MS |
Wiley ID |
DD2024_019038 |