| SpectraBase Compound ID | 1NDXhxhsPCO |
|---|---|
| InChI | InChI=1S/C14H21NOS/c1-4-6-10-17-14(16)15-13-11(3)8-7-9-12(13)5-2/h7-9H,4-6,10H2,1-3H3,(H,15,16) |
| InChIKey | ALNLUKIJOCBJJU-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 | 1VHYPJxjiEl |
|---|---|
| Name | 2-Ethyl-6-methylthiocarbanilic acid, S-butyl ester |
| 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/c1-4-6-10-17-14(16)15-13-11(3)8-7-9-12(13)5-2/h7-9H,4-6,10H2,1-3H3,(H,15,16) |
| InChIKey | ALNLUKIJOCBJJU-UHFFFAOYSA-N |
| Molecular Weight | 251.388 g/mol |
| SMILES | N(C1=C(C=CC=C1CC)C)C(SCCCC)=O |