| SpectraBase Compound ID | 78S44mSYgpg |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-9-11(16)5-10-6-15(17)8-13(2,3)7-12(15)14(9,10)4/h5,9,12,17H,6-8H2,1-4H3/t9-,12-,14+,15+/m0/s1 |
| InChIKey | GKTPXFQABNVYRS-JQWOWJDXSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Aa361lgzBWQ |
|---|---|
| Name | Anhydroarthrosporone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-9-11(16)5-10-6-15(17)8-13(2,3)7-12(15)14(9,10)4/h5,9,12,17H,6-8H2,1-4H3/t9-,12-,14+,15+/m0/s1 |
| InChIKey | GKTPXFQABNVYRS-JQWOWJDXSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C1(=O)C=C2[C@]([C@]3([C@@](CC(C3)(C)C)(O)C2)[H])([C@]1(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859833 |