| SpectraBase Compound ID | 7B9buWqjS72 |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-6-13(14)15-9-12(11(4)5)8-7-10(2)3/h7,12H,4,6,8-9H2,1-3,5H3 |
| InChIKey | NQCUUXYGJVLXAT-UHFFFAOYSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 69mJ1Xao825 |
|---|---|
| Name | Lavandulyl propionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-6-13(14)15-9-12(11(4)5)8-7-10(2)3/h7,12H,4,6,8-9H2,1-3,5H3 |
| InChIKey | NQCUUXYGJVLXAT-UHFFFAOYSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C(C(CC=C(C)C)C(=C)C)OC(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894902 |