| SpectraBase Compound ID | EKaijUT3plq |
|---|---|
| InChI | InChI=1S/C7H14O2.C3H8/c8-5-6-3-1-2-4-7(6)9;1-3-2/h6-9H,1-5H2;3H2,1-2H3 |
| InChIKey | ZUZLGDGKICTCIV-UHFFFAOYSA-N |
| Mol Weight | 174.28 g/mol |
| Molecular Formula | C10H22O2 |
| Exact Mass | 174.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6BgI887djTJ |
|---|---|
| Name | (-)-trans-pinan-1,10-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.161979946 u |
| Formula | C10H22O2 |
| InChI | InChI=1S/C7H14O2.C3H8/c8-5-6-3-1-2-4-7(6)9;1-3-2/h6-9H,1-5H2;3H2,1-2H3 |
| InChIKey | ZUZLGDGKICTCIV-UHFFFAOYSA-N |
| Molecular Weight | 174.284 g/mol |
| Nominal Mass | 174 u |
| SMILES | C(C)C.OC1C(CO)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848365 |