| SpectraBase Compound ID | LLVJJkDb5pX |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-5-6-7-14-9-11(4)15-12(13)8-10(2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey | MDUCNKLWQDFHAE-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 | FW39nQTqW9n |
|---|---|
| Name | 1-Butoxypropan-2-yl 3-methylbutanoate |
| 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/c1-5-6-7-14-9-11(4)15-12(13)8-10(2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey | MDUCNKLWQDFHAE-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | CCCCOCC(C)OC(CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975017 |