| SpectraBase Compound ID | DKVsAXIJ6Ov |
|---|---|
| InChI | InChI=1S/C18H26S/c1-2-4-6-9-13-17(14-10-7-5-3-1)19-18-15-11-8-12-16-18/h8,11-13,15-16H,1-7,9-10,14H2/b17-13+ |
| InChIKey | SDTXKXNHECLOLP-GHRIWEEISA-N |
| Mol Weight | 274.47 g/mol |
| Molecular Formula | C18H26S |
| Exact Mass | 274.175522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8WISMdhAkR4 |
|---|---|
| Name | (Z)-1-(Phenylthio)cyclododecene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.175522011 u |
| Formula | C18H26S |
| InChI | InChI=1S/C18H26S/c1-2-4-6-9-13-17(14-10-7-5-3-1)19-18-15-11-8-12-16-18/h8,11-13,15-16H,1-7,9-10,14H2/b17-13+ |
| InChIKey | SDTXKXNHECLOLP-GHRIWEEISA-N |
| Molecular Weight | 274.466 g/mol |
| SMILES | C=1(S\C2=C/CCCCCCCCCC2)C=CC=CC1 |