| SpectraBase Compound ID | 4gRcoPzd0FE |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-7(12-8(2)10)6-11-9(3,4)5/h7H,6H2,1-5H3 |
| InChIKey | JEIHSRORUWXJGF-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 | 2Mtw1yMpkbh |
|---|---|
| Name | 1-Tert-butoxypropan-2-yl acetate |
| 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/c1-7(12-8(2)10)6-11-9(3,4)5/h7H,6H2,1-5H3 |
| InChIKey | JEIHSRORUWXJGF-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | CC(C)(C)OCC(OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977258 |