| SpectraBase Compound ID | 8SQZAGE1e3S |
|---|---|
| InChI | InChI=1S/C8H14O/c1-2-4-8-6-9-5-7(8)3-1/h7-8H,1-6H2/t7-,8+ |
| InChIKey | HGQBCKVFVUCIML-OCAPTIKFSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1LE2LKB9E0D |
|---|---|
| Name | cis-Hexahydrophthalan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-2-4-8-6-9-5-7(8)3-1/h7-8H,1-6H2/t7-,8+ |
| InChIKey | HGQBCKVFVUCIML-OCAPTIKFSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | [C@@]12([H])CCCC[C@@]2([H])COC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953822 |