| SpectraBase Compound ID | G626gYnFhg |
|---|---|
| InChI | InChI=1S/C15H22OS/c1-2-3-4-5-7-12-15(13-16)17-14-10-8-6-9-11-14/h6,8-11,13,15H,2-5,7,12H2,1H3 |
| InChIKey | ISIRACMJVZTIHM-UHFFFAOYSA-N |
| Mol Weight | 250.4 g/mol |
| Molecular Formula | C15H22OS |
| Exact Mass | 250.139137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTnXp9ZtToa |
|---|---|
| Name | 2-(Phenylthio)nonanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.139136501 u |
| Formula | C15H22OS |
| InChI | InChI=1S/C15H22OS/c1-2-3-4-5-7-12-15(13-16)17-14-10-8-6-9-11-14/h6,8-11,13,15H,2-5,7,12H2,1H3 |
| InChIKey | ISIRACMJVZTIHM-UHFFFAOYSA-N |
| Molecular Weight | 250.400 g/mol |
| SMILES | C=1(SC(C=O)CCCCCCC)C=CC=CC1 |