| SpectraBase Compound ID | 3D6mqfLUJzN |
|---|---|
| InChI | InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3 |
| InChIKey | NSDDRJXKROCWRZ-UHFFFAOYSA-N |
| Mol Weight | 115.19 g/mol |
| Molecular Formula | C5H9NS |
| Exact Mass | 115.04557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8qoL1sruVI0 |
|---|---|
| Name | Isobutyl-isothiocyanate |
| CAS Registry Number | 591-82-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C5H9NS |
| InChI | InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3 |
| InChIKey | NSDDRJXKROCWRZ-UHFFFAOYSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | M. Feigel, H. Kessler, Chem. Ber. 111, 2947 (1978). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |