| SpectraBase Compound ID | DrLgAJMgN92 |
|---|---|
| InChI | InChI=1S/C15H24O/c1-11-5-4-6-12(2)9-14-13(8-7-11)15(14,3)10-16/h5,9,13-14,16H,4,6-8,10H2,1-3H3/b11-5+,12-9+ |
| InChIKey | XQMLUDKCNROUCA-HQOQYNLBSA-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 | 28w2gvfJEFI |
|---|---|
| Name | Deacetyl-coralloidin-B |
| 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/c1-11-5-4-6-12(2)9-14-13(8-7-11)15(14,3)10-16/h5,9,13-14,16H,4,6-8,10H2,1-3H3/b11-5+,12-9+ |
| InChIKey | XQMLUDKCNROUCA-HQOQYNLBSA-N |
| Molecular Weight | 220.356 g/mol |
| SMILES | C12C(CO)(C)C2CC\C(C)=C\CC\C(=C\1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961516 |