| SpectraBase Compound ID | 2TS2nwqZjaq |
|---|---|
| InChI | InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3/b5-4+,7-6+ |
| InChIKey | RQQKJGCMOJSSOV-YTXTXJHMSA-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 | 8B14a5DxDdK |
|---|---|
| Name | 3,5-Octadien-2-ol |
| 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/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3/b5-4+,7-6+ |
| InChIKey | RQQKJGCMOJSSOV-YTXTXJHMSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(\C=C\C=C\C(C)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91955 |