| SpectraBase Compound ID | 4cvtB7ruUB7 |
|---|---|
| InChI | InChI=1S/C17H18O4S/c18-17(12-11-15-7-3-1-4-8-15)21-13-14-22(19,20)16-9-5-2-6-10-16/h1-10H,11-14H2 |
| InChIKey | LBZBVVNQYMGZDW-UHFFFAOYSA-N |
| Mol Weight | 318.39 g/mol |
| Molecular Formula | C17H18O4S |
| Exact Mass | 318.09258 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 | 7ImWweR8PxH |
|---|---|
| Name | 2-(Phenylsulfonyl)ethyl 3-phenylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.092580230 u |
| Formula | C17H18O4S |
| InChI | InChI=1S/C17H18O4S/c18-17(12-11-15-7-3-1-4-8-15)21-13-14-22(19,20)16-9-5-2-6-10-16/h1-10H,11-14H2 |
| InChIKey | LBZBVVNQYMGZDW-UHFFFAOYSA-N |
| Molecular Weight | 318.387 g/mol |
| SMILES | C(CCC=1C=CC=CC1)(=O)OCCS(=O)(=O)C=1C=CC=CC1 |