| SpectraBase Compound ID | 7pbsc44hQbs |
|---|---|
| InChI | InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2 |
| InChIKey | VPVXHAANQNHFSF-UHFFFAOYSA-N |
| Mol Weight | 102.09 g/mol |
| Molecular Formula | C4H6O3 |
| Exact Mass | 102.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5a5J40PIDC7 |
|---|---|
| Name | 1,4-Dioxan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 102.031694050 u |
| Formula | C4H6O3 |
| InChI | InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2 |
| InChIKey | VPVXHAANQNHFSF-UHFFFAOYSA-N |
| Molecular Weight | 102.089 g/mol |
| SMILES | C1(=O)COCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992065 |