| SpectraBase Compound ID | 9RMAhhIYh01 |
|---|---|
| InChI | InChI=1S/C11H14O/c1-4-5-10-9(3)6-8(2)7-11(10)12/h4-7,12H,1-3H3/b5-4- |
| InChIKey | FXAXRZWXQNNSFY-PLNGDYQASA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JHJY21YaLOT |
|---|---|
| Name | Phenol, 3,5-dimethyl-2-(1-propenyl)-, (Z)- |
| 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/h4-7,12H,1-3H3/b5-4- |
| InChIKey | FXAXRZWXQNNSFY-PLNGDYQASA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C=1(C(=CC(=CC1C)C)O)\C=C/C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903312 |