| SpectraBase Compound ID | KFlji1YKFxm |
|---|---|
| InChI | InChI=1S/C12H16O/c1-3-6-12(13)9-11-8-5-4-7-10(11)2/h3-5,7-8,12-13H,1,6,9H2,2H3 |
| InChIKey | NFLSHBUWCFHFOW-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | l3tTUu8ozz |
|---|---|
| Name | 1-o-Tolylpent-4-en-2-ol |
| 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/c1-3-6-12(13)9-11-8-5-4-7-10(11)2/h3-5,7-8,12-13H,1,6,9H2,2H3 |
| InChIKey | NFLSHBUWCFHFOW-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1=CC=C(C(CC(CC=C)O)=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833487 |