| SpectraBase Compound ID | Kkm1RimLWnq |
|---|---|
| InChI | InChI=1S/C26H52O2S2/c1-5-6-18-21-24(29-3)25(30-4)22-19-16-14-12-10-8-7-9-11-13-15-17-20-23-26(27)28-2/h24-25H,5-23H2,1-4H3 |
| InChIKey | HYLPEWKQDUABQO-UHFFFAOYSA-N |
| Mol Weight | 460.8 g/mol |
| Molecular Formula | C26H52O2S2 |
| Exact Mass | 460.340873 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 | 99ooPc4L6yY |
|---|---|
| Name | Methyl 17,18-bis(methylthio)-tricosanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.340873260 u |
| Formula | C26H52O2S2 |
| InChI | InChI=1S/C26H52O2S2/c1-5-6-18-21-24(29-3)25(30-4)22-19-16-14-12-10-8-7-9-11-13-15-17-20-23-26(27)28-2/h24-25H,5-23H2,1-4H3 |
| InChIKey | HYLPEWKQDUABQO-UHFFFAOYSA-N |
| Molecular Weight | 460.820 g/mol |
| SMILES | C(=O)(OC)CCCCCCCCCCCCCCCC(C(SC)CCCCC)SC |