| SpectraBase Spectrum ID |
2I4YbbMufiL |
| Name |
Allylisothiocyanate |
| CAS Registry Number |
57-06-7 |
| Classification |
Ingredient of mustard and horseradish |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
99.014270339 u |
| Formula |
C4H5NS |
| InChI |
InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey |
ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
99.151 g/mol |
| Nominal Mass |
99 u |
| Quality |
721 |
| Retention Index |
699 |
| SMILES |
C(N=C=S)C=C |
| SPLASH |
splash10-0007-9000000000-139756f4abbd2b29d0db |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
allylisothiocyanate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000067 |
