| SpectraBase Compound ID | 4wAfmYIhkac |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-6-7-14(15)16-10-13(12(4)5)9-8-11(2)3/h8,13H,4,6-7,9-10H2,1-3,5H3 |
| InChIKey | ROJSUZRYGHOLJL-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 | IyXrHJFARpA |
|---|---|
| Name | Lavandulyl butyrate |
| 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/c1-6-7-14(15)16-10-13(12(4)5)9-8-11(2)3/h8,13H,4,6-7,9-10H2,1-3,5H3 |
| InChIKey | ROJSUZRYGHOLJL-UHFFFAOYSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C(CCC)(=O)OCC(CC=C(C)C)C(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952964 |