| SpectraBase Compound ID | 1mjwrd3xZXg |
|---|---|
| InChI | InChI=1S/C6H12O3/c1-3-6(4-7)9-5(2)8/h6-7H,3-4H2,1-2H3 |
| InChIKey | CEAFMKFVSIOXOA-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C6H12O3 |
| Exact Mass | 132.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6I9vh44SG45 |
|---|---|
| Name | 1-(Hydroxymethyl)propylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.078644243 u |
| Formula | C6H12O3 |
| InChI | InChI=1S/C6H12O3/c1-3-6(4-7)9-5(2)8/h6-7H,3-4H2,1-2H3 |
| InChIKey | CEAFMKFVSIOXOA-UHFFFAOYSA-N |
| SMILES | C(OC(C)=O)(CO)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942925 |