| SpectraBase Compound ID | 3tNafov8cj |
|---|---|
| InChI | InChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3 |
| InChIKey | RROUXOOIXJRTOM-UHFFFAOYSA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C18H24O2 |
| Exact Mass | 272.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hxy2pRxqt0H |
|---|---|
| Name | Linalyl phenylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.177630011 u |
| Formula | C18H24O2 |
| InChI | InChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3 |
| InChIKey | RROUXOOIXJRTOM-UHFFFAOYSA-N |
| SMILES | C(=CCCC(C=C)(OC(=O)CC1=CC=CC=C1)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972785 |