| SpectraBase Compound ID | 1sAQoZTFCdx |
|---|---|
| InChI | InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3 |
| InChIKey | LIMQQADUEULBSO-UHFFFAOYSA-N |
| Mol Weight | 115.19 g/mol |
| Molecular Formula | C5H9NS |
| Exact Mass | 115.04557 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EokLas6Imom |
|---|---|
| Name | n-Butyl isothiocyanate |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H9NS |
| InChI | InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3 |
| InChIKey | LIMQQADUEULBSO-UHFFFAOYSA-N |
| Instrument Name | GCMS |
| Ionization Type | EI |
| Literature Reference DOI | 10.3762/bjoc.8.6 |
| Molecular Weight | 115.194 g/mol |
| SMILES | C(CCC)N=C=S |
| SPLASH | splash10-014i-7900000000-d0f3aee6613ab9d2058c |
| Source of Spectrum | BJO-8-SM3-3-1 |
| Wiley ID | 1867384 |