| SpectraBase Compound ID | DkLGcNpnVaW |
|---|---|
| InChI | InChI=1S/C12H16O/c1-9(2)8-13-12-6-10(3)5-11(4)7-12/h5-7H,1,8H2,2-4H3 |
| InChIKey | YRYNGTKOFKRMQS-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kto27f22BIf |
|---|---|
| Name | 1,3-Dimethyl-5-(2-methylallyloxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-9(2)8-13-12-6-10(3)5-11(4)7-12/h5-7H,1,8H2,2-4H3 |
| InChIKey | YRYNGTKOFKRMQS-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(OC=1C=C(C=C(C1)C)C)C(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959155 |