| SpectraBase Compound ID | FE6i9nyBagb |
|---|---|
| InChI | InChI=1S/C15H24O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h8,11,14,16H,5-7,9H2,1-4H3/t11-,14?,15-/m1/s1 |
| InChIKey | YJLHMADINKHPSO-KTZGRWMLSA-N |
| Mol Weight | 220.36 g/mol |
| Molecular Formula | C15H24O |
| Exact Mass | 220.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JvCcfKFZ3Xq |
|---|---|
| Name | Deacetyl-coralloidin-A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.182715392 u |
| Formula | C15H24O |
| InChI | InChI=1S/C15H24O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h8,11,14,16H,5-7,9H2,1-4H3/t11-,14?,15-/m1/s1 |
| InChIKey | YJLHMADINKHPSO-KTZGRWMLSA-N |
| Molecular Weight | 220.356 g/mol |
| SMILES | C12=CC(=C(C)C)C(C[C@]2(CCC[C@]1(C)[H])C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915718 |