| SpectraBase Compound ID | 4IOma79ZBlt |
|---|---|
| InChI | InChI=1S/C15H24O2/c1-8(2)13-14-12-9(3)5-6-11(12)10(4)7-15(13,16)17-14/h7-9,11-14,16H,5-6H2,1-4H3/t9-,11-,12?,13+,14-,15+/m0/s1 |
| InChIKey | WDDORCRXCKPKFY-ZDSTZBOHSA-N |
| Mol Weight | 236.35 g/mol |
| Molecular Formula | C15H24O2 |
| Exact Mass | 236.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7BjTRaK4bU8 |
|---|---|
| Name | Isocurcumol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.177630011 u |
| Formula | C15H24O2 |
| InChI | InChI=1S/C15H24O2/c1-8(2)13-14-12-9(3)5-6-11(12)10(4)7-15(13,16)17-14/h7-9,11-14,16H,5-6H2,1-4H3/t9-,11-,12?,13+,14-,15+/m0/s1 |
| InChIKey | WDDORCRXCKPKFY-ZDSTZBOHSA-N |
| Molecular Weight | 236.355 g/mol |
| SMILES | [C@]12(O[C@]([C@]2(C(C)C)[H])(C2[C@@](C)(CC[C@]2(C(=C1)C)[H])[H])[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834748 |