| SpectraBase Compound ID | BCGSEoGVgyk |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H3/t7-,8-/m1/s1 |
| InChIKey | AZWKCIZRVUVZPX-HTQZYQBOSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2JNOYJLbURP |
|---|---|
| Name | (-)-frontalin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H3/t7-,8-/m1/s1 |
| InChIKey | AZWKCIZRVUVZPX-HTQZYQBOSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | [C@]12(O[C@](CO2)(C)CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867407 |