| SpectraBase Compound ID | BGLJ4reBSea |
|---|---|
| InChI | InChI=1S/C16H16ClNOS/c1-12(20-15-5-3-2-4-6-15)16(19)18-11-13-7-9-14(17)10-8-13/h2-10,12H,11H2,1H3,(H,18,19) |
| InChIKey | OITWHIBCKVYSPO-UHFFFAOYSA-N |
| Mol Weight | 305.82 g/mol |
| Molecular Formula | C16H16ClNOS |
| Exact Mass | 305.064113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 26sPxochRua |
|---|---|
| Name | Propanamide, 2-phenylthio-N-(4-chlorobenzyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.064113012 u |
| Formula | C16H16ClNOS |
| InChI | InChI=1S/C16H16ClNOS/c1-12(20-15-5-3-2-4-6-15)16(19)18-11-13-7-9-14(17)10-8-13/h2-10,12H,11H2,1H3,(H,18,19) |
| InChIKey | OITWHIBCKVYSPO-UHFFFAOYSA-N |
| Molecular Weight | 305.823 g/mol |
| SMILES | C(NCC=1C=CC(=CC1)Cl)(C(SC1=CC=CC=C1)C)=O |