| SpectraBase Compound ID | IPMksmKN0sb |
|---|---|
| InChI | InChI=1S/C10H11NS/c1-9(7-11-8-12)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3 |
| InChIKey | FGESWFIKOLPCKC-UHFFFAOYSA-N |
| Mol Weight | 177.26 g/mol |
| Molecular Formula | C10H11NS |
| Exact Mass | 177.061221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ge8XCZlPViC |
|---|---|
| Name | .beta.-Phenylpropyl isothiocyanate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.061220532 u |
| Formula | C10H11NS |
| InChI | InChI=1S/C10H11NS/c1-9(7-11-8-12)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3 |
| InChIKey | FGESWFIKOLPCKC-UHFFFAOYSA-N |
| Molecular Weight | 177.265 g/mol |
| SMILES | C(N=C=S)C(C1=CC=CC=C1)C |