| SpectraBase Compound ID | GR4nGBoqyCV |
|---|---|
| InChI | InChI=1S/C19H28O4S/c1-3-4-5-6-9-15-22-18(20)13-10-14-19(21)23-16-11-7-8-12-17(16)24-2/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3 |
| InChIKey | XJJCTJMBWBQBQC-UHFFFAOYSA-N |
| Mol Weight | 352.49 g/mol |
| Molecular Formula | C19H28O4S |
| Exact Mass | 352.170831 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 | HMxSnjLSKxv |
|---|---|
| Name | Glutaric acid, heptyl 2-(methylthio)phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.170830552 u |
| Formula | C19H28O4S |
| InChI | InChI=1S/C19H28O4S/c1-3-4-5-6-9-15-22-18(20)13-10-14-19(21)23-16-11-7-8-12-17(16)24-2/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3 |
| InChIKey | XJJCTJMBWBQBQC-UHFFFAOYSA-N |
| Molecular Weight | 352.489 g/mol |
| SMILES | C(OC1=C(SC)C=CC=C1)(=O)CCCC(OCCCCCCC)=O |