| SpectraBase Compound ID | 6Q8HyFmLvOV |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-11(2)15-10-8-6-4-5-7-9-12(13)14-3/h11H,4-10H2,1-3H3 |
| InChIKey | DKBHKCQXFDIBOS-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1nHsU3l6koQ |
|---|---|
| Name | 8-Isopropoxy-octanoic acid, methyl ester |
| 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/c1-11(2)15-10-8-6-4-5-7-9-12(13)14-3/h11H,4-10H2,1-3H3 |
| InChIKey | DKBHKCQXFDIBOS-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | C(=O)(CCCCCCCOC(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980528 |