| SpectraBase Compound ID | IKpZCIG0geb |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-2-11(13)8-9-12(14)10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3 |
| InChIKey | WXQQRWKSCBOMHF-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 38cBMKidkbl |
|---|---|
| Name | Anti-1-phenyl-1,4-hexanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-2-11(13)8-9-12(14)10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3 |
| InChIKey | WXQQRWKSCBOMHF-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C(CCC(CC)O)(O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941961 |