| SpectraBase Compound ID | CIgpT0TcR5f |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-5-11-9(10)12-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3 |
| InChIKey | CKVPXYFKQTVVGZ-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1XELQZEmTTq |
|---|---|
| Name | Ethyl 4-methylpentan-2-yl carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-5-11-9(10)12-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3 |
| InChIKey | CKVPXYFKQTVVGZ-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(=O)(OCC)OC(C)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917641 |