| SpectraBase Compound ID | BJnfGEx7St6 |
|---|---|
| InChI | InChI=1S/C15H14N2O4S/c18-15(16-10-11-22-14-4-2-1-3-5-14)21-13-8-6-12(7-9-13)17(19)20/h1-9H,10-11H2,(H,16,18) |
| InChIKey | YGYMADBZTVASSE-UHFFFAOYSA-N |
| Mol Weight | 318.35 g/mol |
| Molecular Formula | C15H14N2O4S |
| Exact Mass | 318.067428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kk69jGnIswq |
|---|---|
| Name | p-Nitrophenyl (2-(phenylthio)ethyl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.067428109 u |
| Formula | C15H14N2O4S |
| InChI | InChI=1S/C15H14N2O4S/c18-15(16-10-11-22-14-4-2-1-3-5-14)21-13-8-6-12(7-9-13)17(19)20/h1-9H,10-11H2,(H,16,18) |
| InChIKey | YGYMADBZTVASSE-UHFFFAOYSA-N |
| Molecular Weight | 318.347 g/mol |
| SMILES | C(SC1=CC=CC=C1)CNC(=O)OC1=CC=C(C=C1)N(=O)=O |