| SpectraBase Compound ID | 9sng270nvsv |
|---|---|
| InChI | InChI=1S/C11H14O/c1-4-5-10-9(3)6-8(2)7-11(10)12/h4,6-7,12H,1,5H2,2-3H3 |
| InChIKey | VJBNTMUSFMRWSH-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6v1BYjpvoOM |
|---|---|
| Name | 2-Allyl-3,5-xylenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.104465070 u |
| Formula | C11H14O |
| InChI | InChI=1S/C11H14O/c1-4-5-10-9(3)6-8(2)7-11(10)12/h4,6-7,12H,1,5H2,2-3H3 |
| InChIKey | VJBNTMUSFMRWSH-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | OC=1C(=C(C=C(C1)C)C)CC=C |
| Spectrum/Structure Validation Score (Raman) | 0.963324 |