| SpectraBase Compound ID | 7mOFMYMCcgX |
|---|---|
| InChI | InChI=1S/C18H34OS/c1-6-8-10-15(3)13-17(5)14-16(4)11-9-12-18(19)20-7-2/h9,11,15-17H,6-8,10,12-14H2,1-5H3/b11-9+/t15-,16+,17-/m0/s1 |
| InChIKey | NZRKNAUVTWLZIJ-DQWVTDRNSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C18H34OS |
| Exact Mass | 298.233037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Daxo5IvA7Hd |
|---|---|
| Name | (5S,7S,9S,E)-S-Ethyl 5,7,9-trimethyltridec-3-enethioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.233036888 u |
| Formula | C18H34OS |
| InChI | InChI=1S/C18H34OS/c1-6-8-10-15(3)13-17(5)14-16(4)11-9-12-18(19)20-7-2/h9,11,15-17H,6-8,10,12-14H2,1-5H3/b11-9+/t15-,16+,17-/m0/s1 |
| InChIKey | NZRKNAUVTWLZIJ-DQWVTDRNSA-N |
| SMILES | C(=O)(SCC)C\C=C\[C@](C[C@](C[C@](CCCC)(C)[H])(C)[H])(C)[H] |