| SpectraBase Compound ID | AqcIcJoqDoF |
|---|---|
| InChI | InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 |
| InChIKey | NQLVQOSNDJXLKG-UHFFFAOYSA-N |
| Mol Weight | 251.39 g/mol |
| Molecular Formula | C14H21NOS |
| Exact Mass | 251.134385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2ImKtzfUNE |
|---|---|
| Name | Prosulfocarb |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.134385473 u |
| Formula | C14H21NOS |
| InChI | InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 |
| InChIKey | NQLVQOSNDJXLKG-UHFFFAOYSA-N |
| Molecular Weight | 251.388 g/mol |
| SMILES | C1=CC(CSC(N(CCC)CCC)=O)=CC=C1 |