| SpectraBase Compound ID | Fd0AVh5SAcK |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-4-5-9(12)11-7(2)6-10(13)8(11)3/h7,9,12H,4-6H2,1-3H3/t7-,9+/m1/s1 |
| InChIKey | NMGKVGASSWZGPX-APPZFPTMSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 53vXcGa3tYj |
|---|---|
| Name | Phomotenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-4-5-9(12)11-7(2)6-10(13)8(11)3/h7,9,12H,4-6H2,1-3H3/t7-,9+/m1/s1 |
| InChIKey | NMGKVGASSWZGPX-APPZFPTMSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C1(=C(C(=O)C[C@]1(C)[H])C)[C@@](O)(CCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823966 |