| SpectraBase Compound ID | E0ybiRtBxue |
|---|---|
| InChI | InChI=1S/C13H17NOS/c1-2-3-4-8-11-16-13(15)14-12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3,(H,14,15)/b8-4+ |
| InChIKey | DAOLRBCFUCOUNB-XBXARRHUSA-N |
| Mol Weight | 235.34 g/mol |
| Molecular Formula | C13H17NOS |
| Exact Mass | 235.103085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51CVMnwEC19 |
|---|---|
| Name | (E)-S-hex-2-en-1-yl Phenylcarbamothioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.103085344 u |
| Formula | C13H17NOS |
| InChI | InChI=1S/C13H17NOS/c1-2-3-4-8-11-16-13(15)14-12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3,(H,14,15)/b8-4+ |
| InChIKey | DAOLRBCFUCOUNB-XBXARRHUSA-N |
| Molecular Weight | 235.345 g/mol |
| SMILES | C=1C=CC=CC1NC(SC\C=C\CCC)=O |