| SpectraBase Compound ID | 28vFIXkZhyX |
|---|---|
| InChI | InChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3 |
| InChIKey | BDPQUWSFKCFOST-UHFFFAOYSA-N |
| Mol Weight | 149.21 g/mol |
| Molecular Formula | C8H7NS |
| Exact Mass | 149.02992 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ClW8sW7TPhP |
|---|---|
| Name | 1-isothiocyanato-3-methylbenzene |
| Appearance | Colorless oily liquid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NS |
| InChI | InChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3 |
| InChIKey | BDPQUWSFKCFOST-UHFFFAOYSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 149.211 g/mol |
| SMILES | c1(cc(ccc1)C)N=C=S |
| SPLASH | splash10-0002-5900000000-44c3ebb82cbf2b0f5382 |
| Source of Spectrum | CN109608295A |
| Wiley ID | 1872692 |