| SpectraBase Compound ID | HZcZMzTlid1 |
|---|---|
| InChI | InChI=1S/C16H28O/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)14(15)10-13/h12-15H,1,6-10H2,2-5H3/t12-,13+,14-,15-,16+/m0/s1 |
| InChIKey | OFGCDEUJOOZBRL-XFIYOXNOSA-N |
| Mol Weight | 236.4 g/mol |
| Molecular Formula | C16H28O |
| Exact Mass | 236.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DSzFTPo3jgr |
|---|---|
| Name | Pogostol-o-methylether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.214015521 u |
| Formula | C16H28O |
| InChI | InChI=1S/C16H28O/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)14(15)10-13/h12-15H,1,6-10H2,2-5H3/t12-,13+,14-,15-,16+/m0/s1 |
| InChIKey | OFGCDEUJOOZBRL-XFIYOXNOSA-N |
| Molecular Weight | 236.399 g/mol |
| SMILES | [C@]1(OC)(CC[C@](C[C@]2([C@](CC[C@]12[H])(C)[H])[H])(C(C)=C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956698 |