| SpectraBase Compound ID | 5GoqHGabmPy |
|---|---|
| InChI | InChI=1S/C13H16O/c1-4-6-11-9-8-10(3)12(7-5-2)13(11)14/h4-5,8-9,14H,1-2,6-7H2,3H3 |
| InChIKey | DBKIUYHEQSSLCM-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 623qjG6JB9o |
|---|---|
| Name | 2,6-Diallyl-m-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-4-6-11-9-8-10(3)12(7-5-2)13(11)14/h4-5,8-9,14H,1-2,6-7H2,3H3 |
| InChIKey | DBKIUYHEQSSLCM-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | OC=1C(=CC=C(C1CC=C)C)CC=C |
| Spectrum/Structure Validation Score (Raman) | 0.978565 |