| SpectraBase Compound ID | Ews3brm3GYR |
|---|---|
| InChI | InChI=1S/C13H18O/c1-5-6-12-10(4)7-8-11(9(2)3)13(12)14/h5,7-9,14H,1,6H2,2-4H3 |
| InChIKey | VJYPMGWQIRMJTE-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L4nVpR8rxmj |
|---|---|
| Name | 2-Allyl-3-methyl-6-isopropylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-5-6-12-10(4)7-8-11(9(2)3)13(12)14/h5,7-9,14H,1,6H2,2-4H3 |
| InChIKey | VJYPMGWQIRMJTE-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C1(=C(O)C(CC=C)=C(C=C1)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949216 |