| SpectraBase Compound ID | IUiNhK0Y8Dy |
|---|---|
| InChI | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| Mol Weight | 99.15 g/mol |
| Molecular Formula | C4H5NS |
| Exact Mass | 99.01427 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ih1xu5OdvIv |
|---|---|
| Name | Allyl isothiocyanate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C4H5NS |
| InChI | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| Instrument Name | AEI MS12 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jsfa.2740190509 |
| SMILES | C=CCN=C=S |
| SPLASH | splash10-0007-9000000000-62fb54f98e6679fa3d9a |
| Source of Spectrum | SFA-19-276-Fig. 2-2 |
| Wiley ID | 1856588 |