| SpectraBase Compound ID | 4edU0q0aTVM |
|---|---|
| InChI | InChI=1S/C7H7NS/c1-4-7(6(2)3)8-5-9/h1-2H2,3H3 |
| InChIKey | VMEQGPIUKXIVQP-UHFFFAOYSA-N |
| Mol Weight | 137.2 g/mol |
| Molecular Formula | C7H7NS |
| Exact Mass | 137.02992 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1366LHbaoDX |
|---|---|
| Name | 1-(1'-Methylethenyl)propa-1,3-dienyl isothiocyanate |
| Alternate Name(s) | 3-isothiocyanato-4-methylpenta-1,2,4-triene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H7NS |
| InChI | InChI=1S/C7H7NS/c1-4-7(6(2)3)8-5-9/h1-2H2,3H3 |
| InChIKey | VMEQGPIUKXIVQP-UHFFFAOYSA-N |
| Molecular Weight | 137.200 g/mol |
| SMILES | C(N=C=S)(=C=C)C(=C)C |
| SPLASH | splash10-004r-9100000000-aae32db0324db459aa32 |
| Source of Spectrum | K1-2001-1099-9 |
| Wiley ID | 846789 |