| SpectraBase Spectrum ID |
8GE4MoYfNVA |
| Name |
5-APB NCS |
| Classification |
Benzofurane analog designer drug |
| 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)6-10-2-3-12-11(7-10)4-5-14-12/h2-5,7,9H,6H2,1H3 |
| InChIKey |
ZZZWTTDSFWCSSB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
217.286 g/mol |
| Nominal Mass |
217 u |
| Quality |
998 |
| Retention Index |
1842 |
| SMILES |
C12=C(C=CC(=C2)CC(N=C=S)C)OC=C1 |
| SPLASH |
splash10-001i-1920000000-bd42c480145e763c0156 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Isothiocyanato-(2,3-dihydro-1-benzofuran-5-yl)propane
5-(2-isothiocyanatopropyl)-1-benzofuran |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016287 |
