| SpectraBase Compound ID | 2X5VXxLoOPq |
|---|---|
| InChI | InChI=1S/C14H20O/c1-11(2)5-6-12(3)13-7-9-14(15-4)10-8-13/h7-11H,3,5-6H2,1-2,4H3 |
| InChIKey | ZFGOVSRBWBZFFX-UHFFFAOYSA-N |
| Mol Weight | 204.31 g/mol |
| Molecular Formula | C14H20O |
| Exact Mass | 204.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A8vcIH4ct8A |
|---|---|
| Name | 1-Hexen, 2-(p-anisyl)-5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.151415263 u |
| Formula | C14H20O |
| InChI | InChI=1S/C14H20O/c1-11(2)5-6-12(3)13-7-9-14(15-4)10-8-13/h7-11H,3,5-6H2,1-2,4H3 |
| InChIKey | ZFGOVSRBWBZFFX-UHFFFAOYSA-N |
| Molecular Weight | 204.313 g/mol |
| SMILES | C1(OC)=CC=C(C(CCC(C)C)=C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964824 |