| SpectraBase Compound ID | 8IPXOhkMeRn |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3,5,7-8H2,1-2H3 |
| InChIKey | QBOOMXFBCICQKQ-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AO1FmfPFnlh |
|---|---|
| Name | Carbonic acid, butyl 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 | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3,5,7-8H2,1-2H3 |
| InChIKey | QBOOMXFBCICQKQ-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C(CCOC(OCC#CC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936276 |