| SpectraBase Compound ID | AVO1bvu4cOv |
|---|---|
| InChI | InChI=1S/C13H17NOS/c1-3-10-14(4-2)13(15)11-16-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3 |
| InChIKey | WITLTZIWVUOSSD-UHFFFAOYSA-N |
| Mol Weight | 235.34 g/mol |
| Molecular Formula | C13H17NOS |
| Exact Mass | 235.103085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vSnKsMQZmw |
|---|---|
| Name | Acetamide, N-allyl-N-ethyl-2-(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.103085344 u |
| Formula | C13H17NOS |
| InChI | InChI=1S/C13H17NOS/c1-3-10-14(4-2)13(15)11-16-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3 |
| InChIKey | WITLTZIWVUOSSD-UHFFFAOYSA-N |
| Molecular Weight | 235.345 g/mol |
| SMILES | C(N(CC)CC=C)(=O)CSC1=CC=CC=C1 |