| SpectraBase Compound ID | 4yqO1Mj8IkT |
|---|---|
| InChI | InChI=1S/C6H9NO2S/c1-9-6(8)3-2-4-7-5-10/h2-4H2,1H3 |
| InChIKey | RIAAMQLODIETQE-UHFFFAOYSA-N |
| Mol Weight | 159.2 g/mol |
| Molecular Formula | C6H9NO2S |
| Exact Mass | 159.0354 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9AQAeM3n4r3 |
|---|---|
| Name | Methyl 4-isothiocyanatobutanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H9NO2S |
| InChI | InChI=1S/C6H9NO2S/c1-9-6(8)3-2-4-7-5-10/h2-4H2,1H3 |
| InChIKey | RIAAMQLODIETQE-UHFFFAOYSA-N |
| Molecular Weight | 159.203 g/mol |
| SMILES | C(N=C=S)CCC(OC)=O |
| SPLASH | splash10-05fu-9300000000-0b84ea42d368e0aea126 |
| Source of Spectrum | Niko Radulovic, et al. Food Chemistry, V.129, 2011, P.125-130 |
| Wiley ID | 1817148 |