| SpectraBase Compound ID | L7zNAnTD2XJ |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3 |
| InChIKey | XFPXWDJICXBWRU-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IXSKeyGV5sa |
|---|---|
| Name | 3,7-Dimethyl-1-octanol, acetate |
| 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/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3 |
| InChIKey | XFPXWDJICXBWRU-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | CC(CCCC(CCOC(C)=O)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.955383 |