| SpectraBase Compound ID | FMF2EC41dH |
|---|---|
| InChI | InChI=1S/C18H26O4S/c1-3-4-5-8-14-21-17(19)12-9-13-18(20)22-15-10-6-7-11-16(15)23-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3 |
| InChIKey | YTEWGVMEUBJFQR-UHFFFAOYSA-N |
| Mol Weight | 338.46 g/mol |
| Molecular Formula | C18H26O4S |
| Exact Mass | 338.15518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AxABVwKC33R |
|---|---|
| Name | Glutaric acid, hexyl 2-(methylthio)phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.155180487 u |
| Formula | C18H26O4S |
| InChI | InChI=1S/C18H26O4S/c1-3-4-5-8-14-21-17(19)12-9-13-18(20)22-15-10-6-7-11-16(15)23-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3 |
| InChIKey | YTEWGVMEUBJFQR-UHFFFAOYSA-N |
| Molecular Weight | 338.462 g/mol |
| SMILES | C(OC1=C(SC)C=CC=C1)(=O)CCCC(OCCCCCC)=O |