| SpectraBase Compound ID | 7noM4PL33CL |
|---|---|
| InChI | InChI=1S/C13H17NO2S/c1-10(2)8-9-16-13(17)14-12(15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15,17) |
| InChIKey | QHNMJAVVPKZHJH-UHFFFAOYSA-N |
| Mol Weight | 251.34 g/mol |
| Molecular Formula | C13H17NO2S |
| Exact Mass | 251.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFHWbsYZhV |
|---|---|
| Name | iso-Pentyl N-benzoylthiocarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.097999963 u |
| Formula | C13H17NO2S |
| InChI | InChI=1S/C13H17NO2S/c1-10(2)8-9-16-13(17)14-12(15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15,17) |
| InChIKey | QHNMJAVVPKZHJH-UHFFFAOYSA-N |
| Molecular Weight | 251.344 g/mol |
| SMILES | C(NC(=S)OCCC(C)C)(=O)C=1C=CC=CC1 |