| SpectraBase Compound ID | D4qS7HYKDN0 |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-4-11(2)6-5-7-12(3)9(11)8-10(13)14-12/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | VWOPTUCATATVGQ-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H73adzYKwcN |
|---|---|
| Name | Epianastrephin, (-) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-4-11(2)6-5-7-12(3)9(11)8-10(13)14-12/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | VWOPTUCATATVGQ-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1CC(C2C(C1)(OC(C2)=O)C)(C)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982573 |