| SpectraBase Spectrum ID |
4mUIsXEQTo |
| Name |
BN isothiocyanate |
| Classification |
Phenethylamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
329.108564647 u |
| Formula |
C18H19NO3S |
| InChI |
InChI=1S/C18H19NO3S/c1-20-16-10-15(8-9-19-13-23)11-17(21-2)18(16)22-12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3 |
| InChIKey |
UUXZYVRBSWQELX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
329.414 g/mol |
| Nominal Mass |
329 u |
| Quality |
978 |
| Retention Index |
2440 |
| SMILES |
C1(=C(C=C(C=C1OC)CCN=C=S)OC)OCC1=CC=CC=C1 |
| SPLASH |
splash10-002u-7982000000-ed5e3e3edfb64e1aff4f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-[4-(Benzyloxy)-3,5-dimethoxyphenyl]-1-isothiocyanatoethane
2-(benzyloxy)-5-(2-isothiocyanatoethyl)-1,3-dimethoxybenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016871 |
