| SpectraBase Compound ID | 41aBUyDLSeD |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3 |
| InChIKey | VYPRXWXGLLURNB-UHFFFAOYSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3ScXd7Gxmkf |
|---|---|
| Name | Menthol, o-isobutenyryl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3 |
| InChIKey | VYPRXWXGLLURNB-UHFFFAOYSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C1CC(CC(C1C(C)C)OC(C(C)=C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969355 |