| SpectraBase Compound ID | JTe98rypvTY |
|---|---|
| InChI | InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3 |
| InChIKey | WXYAXKKXIGHXDS-UHFFFAOYSA-N |
| Mol Weight | 143.25 g/mol |
| Molecular Formula | C7H13NS |
| Exact Mass | 143.076871 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ERmAlN3QgV7 |
|---|---|
| Name | n-hexyl isothiocyanate |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H13NS |
| InChI | InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3 |
| InChIKey | WXYAXKKXIGHXDS-UHFFFAOYSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 143.248 g/mol |
| SMILES | C(CCCCC)N=C=S |
| SPLASH | splash10-014i-2900000000-c0c0d13639ba244e966c |
| Source of Spectrum | CN109608295A |
| Wiley ID | 1872687 |