| SpectraBase Compound ID | Gkq21T2POPc |
|---|---|
| InChI | InChI=1S/C12H16O/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h5-10,13H,2-4H2,1H3/b6-5+ |
| InChIKey | GCODEPGAPILMQG-AATRIKPKSA-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 | EGo5qUpJOP |
|---|---|
| Name | 4-{(1E)-Hexenyl}phenol |
| 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/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h5-10,13H,2-4H2,1H3/b6-5+ |
| InChIKey | GCODEPGAPILMQG-AATRIKPKSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835061 |