| SpectraBase Compound ID | 3ClMwdRwoHz |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-14(9-17)11-5-6-15(2)13(18-15)4-3-10(8-16)7-12(11)14/h7-8,11-13,17H,3-6,9H2,1-2H3/b10-7+/t11-,12+,13-,14+,15-/m1/s1 |
| InChIKey | AELSZYYNQJBBIG-RBYYFQTISA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I2PXrzZnNPi |
|---|---|
| Name | Madolin-o |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-14(9-17)11-5-6-15(2)13(18-15)4-3-10(8-16)7-12(11)14/h7-8,11-13,17H,3-6,9H2,1-2H3/b10-7+/t11-,12+,13-,14+,15-/m1/s1 |
| InChIKey | AELSZYYNQJBBIG-RBYYFQTISA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | [C@@]12(O[C@@]1(CC[C@@]1([C@](\C=C/(CC2)C=O)([C@]1(CO)C)[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870755 |