| SpectraBase Compound ID | 69Ydp78sFj3 |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-10(7-9-15-11(2)13)6-5-8-12(3,4)14/h10,14H,5-9H2,1-4H3 |
| InChIKey | PRKMLYMLHITSBB-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F0xG2vqQJAx |
|---|---|
| Name | 1-Acetoxy-7-hydroxy-3,7-dimethyloctane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.172544630 u |
| Formula | C12H24O3 |
| InChI | InChI=1S/C12H24O3/c1-10(7-9-15-11(2)13)6-5-8-12(3,4)14/h10,14H,5-9H2,1-4H3 |
| InChIKey | PRKMLYMLHITSBB-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | CC(C)(CCCC(CCOC(C)=O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938365 |