| SpectraBase Compound ID | GA2UpLE1Vna |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-5-7-11-14-18(20,17(3,4)6-2)16(19)15-12-9-8-10-13-15/h6,8-10,12-13,16,19-20H,2,5,7,11,14H2,1,3-4H3 |
| InChIKey | RMYHJMVOPCRQJL-UHFFFAOYSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JONexBhNtN6 |
|---|---|
| Name | 3,3-Dimethyl-2-pentyl-1-phenylpent-4-ene-1,2-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-5-7-11-14-18(20,17(3,4)6-2)16(19)15-12-9-8-10-13-15/h6,8-10,12-13,16,19-20H,2,5,7,11,14H2,1,3-4H3 |
| InChIKey | RMYHJMVOPCRQJL-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C(C(C(C=C)(C)C)(O)CCCCC)(O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938163 |