| SpectraBase Compound ID | Dm4LpEFaVb4 |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-4-7(2)5-6-10-8(3)9/h4-5H,1,6H2,2-3H3/b7-5+ |
| InChIKey | XPXCMEJYBVJMBX-FNORWQNLSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9qY9IJdnDIe |
|---|---|
| Name | Trans-3-methylpenta-1,3-diene-5-ol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-4-7(2)5-6-10-8(3)9/h4-5H,1,6H2,2-3H3/b7-5+ |
| InChIKey | XPXCMEJYBVJMBX-FNORWQNLSA-N |
| SMILES | C\C(=C/COC(C)=O)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959275 |