| SpectraBase Compound ID | Htx9yGyipnp |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-5-11(13,6-2)9-10-12(14,7-3)8-4/h9-10,13-14H,5-8H2,1-4H3/b10-9- |
| InChIKey | SKECJNSNPGZRHJ-KTKRTIGZSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AQRr10qr9hj |
|---|---|
| Name | (Z)-3,6-Diethyl-4-octene-3,6-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-5-11(13,6-2)9-10-12(14,7-3)8-4/h9-10,13-14H,5-8H2,1-4H3/b10-9- |
| InChIKey | SKECJNSNPGZRHJ-KTKRTIGZSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | C(\C=C/C(O)(CC)CC)(O)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954034 |