| SpectraBase Compound ID | IUiNhK0Y8Dy |
|---|---|
| InChI | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| Mol Weight | 99.15 g/mol |
| Molecular Formula | C4H5NS |
| Exact Mass | 99.01427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7EjIBs40m6N |
|---|---|
| Name | Allyl isothiocyanate |
| CAS Registry Number | 57-06-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C4H5NS |
| InChI | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| Instrument Name | Special |
| Literature Reference | T. Yonemoto, J. Magn. Resonance 13, 153 (1974). |
| NMR Standard | Benzene |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Neat liquid |