| SpectraBase Compound ID | GHreMpnKbV1 |
|---|---|
| InChI | InChI=1S/C15H22OS/c1-3-5-7-12-15(14(16)4-2)17-13-10-8-6-9-11-13/h6,8-11,15H,3-5,7,12H2,1-2H3 |
| InChIKey | RITJOTDEOGJZGD-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 | AABlDZAWjS5 |
|---|---|
| Name | 3-Nonanone, 4-(phenylthio)- |
| 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/c1-3-5-7-12-15(14(16)4-2)17-13-10-8-6-9-11-13/h6,8-11,15H,3-5,7,12H2,1-2H3 |
| InChIKey | RITJOTDEOGJZGD-UHFFFAOYSA-N |
| Molecular Weight | 250.400 g/mol |
| SMILES | C(SC=1C=CC=CC1)(C(=O)CC)CCCCC |