| SpectraBase Compound ID | 1E9SQcYING1 |
|---|---|
| InChI | InChI=1S/C14H22OS/c1-9(8-15)5-4-6-13(2)11-7-10-12(16-11)14(10,13)3/h5,10-12,15H,4,6-8H2,1-3H3/b9-5-/t10-,11-,12+,13-,14-/m0/s1 |
| InChIKey | UYKDQHJBPMLXFB-BCYRTEDXSA-N |
| Mol Weight | 238.39 g/mol |
| Molecular Formula | C14H22OS |
| Exact Mass | 238.139137 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1FZh6dkclVg |
|---|---|
| Name | (Z)-4'-Thia-.alpha.-santalol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.139136501 u |
| Formula | C14H22OS |
| InChI | InChI=1S/C14H22OS/c1-9(8-15)5-4-6-13(2)11-7-10-12(16-11)14(10,13)3/h5,10-12,15H,4,6-8H2,1-3H3/b9-5-/t10-,11-,12+,13-,14-/m0/s1 |
| InChIKey | UYKDQHJBPMLXFB-BCYRTEDXSA-N |
| Molecular Weight | 238.389 g/mol |
| SMILES | [C@]12([C@@]3(S[C@]([C@@]2(CC\C=C/(CO)C)C)(C[C@]13[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902561 |