| SpectraBase Compound ID | 12cb3ygxjQ3 |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-4-6-11-9(10)12-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3 |
| InChIKey | VQDIHNYHANVRTM-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IdECFQo9djw |
|---|---|
| Name | Carbonic acid, allyl 2-methylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-4-6-11-9(10)12-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3 |
| InChIKey | VQDIHNYHANVRTM-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C=CCOC(=O)OCC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976285 |