| SpectraBase Compound ID | H0eYcfIahRS |
|---|---|
| InChI | InChI=1S/C9H10O3/c1-3-5-7-11-9(10)12-8-6-4-2/h7-8H2,1-2H3 |
| InChIKey | HMKKBNWNSPLQFH-UHFFFAOYSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C9H10O3 |
| Exact Mass | 166.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LTpMkvXPCaD |
|---|---|
| Name | Carbonic acid, di(but-2-yn-1-yl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.062994179 u |
| Formula | C9H10O3 |
| InChI | InChI=1S/C9H10O3/c1-3-5-7-11-9(10)12-8-6-4-2/h7-8H2,1-2H3 |
| InChIKey | HMKKBNWNSPLQFH-UHFFFAOYSA-N |
| SMILES | C(OCC#CC)(OCC#CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831397 |