| SpectraBase Compound ID | IxJufkzuk5j |
|---|---|
| InChI | InChI=1S/C10H10O4/c1-9(11)13-7-5-3-4-6-8-14-10(2)12/h7-8H2,1-2H3 |
| InChIKey | ZGRFQTAAHBYBSQ-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C10H10O4 |
| Exact Mass | 194.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AutJAJ45RoT |
|---|---|
| Name | 1,6-Diacetoxy-2,4-hexadiin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.057908798 u |
| Formula | C10H10O4 |
| InChI | InChI=1S/C10H10O4/c1-9(11)13-7-5-3-4-6-8-14-10(2)12/h7-8H2,1-2H3 |
| InChIKey | ZGRFQTAAHBYBSQ-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | C(=O)(OCC#CC#CCOC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97546 |