| SpectraBase Compound ID | 5XuQql1JOVM |
|---|---|
| InChI | InChI=1S/C21H24O4S/c1-3-4-5-8-15-24-20(22)18-9-6-7-10-19(18)21(23)25-16-11-13-17(26-2)14-12-16/h6-7,9-14H,3-5,8,15H2,1-2H3 |
| InChIKey | OFJSZYDBZBCTTJ-UHFFFAOYSA-N |
| Mol Weight | 372.48 g/mol |
| Molecular Formula | C21H24O4S |
| Exact Mass | 372.13953 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 | BspZWMqQJ6V |
|---|---|
| Name | Phthalic acid, hexyl 4-methylthiophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.139530423 u |
| Formula | C21H24O4S |
| InChI | InChI=1S/C21H24O4S/c1-3-4-5-8-15-24-20(22)18-9-6-7-10-19(18)21(23)25-16-11-13-17(26-2)14-12-16/h6-7,9-14H,3-5,8,15H2,1-2H3 |
| InChIKey | OFJSZYDBZBCTTJ-UHFFFAOYSA-N |
| Molecular Weight | 372.479 g/mol |
| SMILES | C1=C(C(=CC=C1)C(=O)OCCCCCC)C(=O)OC1=CC=C(C=C1)SC |