| SpectraBase Compound ID | 3FUMomjQbA0 |
|---|---|
| InChI | InChI=1S/C16H25O3PS/c1-3-5-13-18-20(17,19-14-6-4-2)21-15-12-16-10-8-7-9-11-16/h7-12,15H,3-6,13-14H2,1-2H3/b15-12+ |
| InChIKey | IOKNALVGNQVNEJ-NTCAYCPXSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C16H25O3PS |
| Exact Mass | 328.126203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DdFowkI5MVO |
|---|---|
| Name | o,o-Dibutyl S-(2'-phenylvinyl)-phosphorothioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.126202834 u |
| Formula | C16H25O3PS |
| InChI | InChI=1S/C16H25O3PS/c1-3-5-13-18-20(17,19-14-6-4-2)21-15-12-16-10-8-7-9-11-16/h7-12,15H,3-6,13-14H2,1-2H3/b15-12+ |
| InChIKey | IOKNALVGNQVNEJ-NTCAYCPXSA-N |
| Molecular Weight | 328.407 g/mol |
| SMILES | C=1(\C=C\SP(=O)(OCCCC)OCCCC)C=CC=CC1 |