| SpectraBase Compound ID | LsE1uDCB4zW |
|---|---|
| InChI | InChI=1S/C13H11NO3S/c15-12(11-7-4-8-16-11)14-13(18)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15,18) |
| InChIKey | SMZBCACSBMIQHU-UHFFFAOYSA-N |
| Mol Weight | 261.29 g/mol |
| Molecular Formula | C13H11NO3S |
| Exact Mass | 261.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yRgVjR252V |
|---|---|
| Name | Benzyl N-(2-furoyl)thiocarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.045964389 u |
| Formula | C13H11NO3S |
| InChI | InChI=1S/C13H11NO3S/c15-12(11-7-4-8-16-11)14-13(18)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15,18) |
| InChIKey | SMZBCACSBMIQHU-UHFFFAOYSA-N |
| Molecular Weight | 261.295 g/mol |
| SMILES | C(NC(=S)OCC=1C=CC=CC1)(C=1OC=CC1)=O |