| SpectraBase Compound ID | E87i75x5vgs |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-4-5-6-11-9(10)12-7-8(2)3/h8H,6-7H2,1-3H3 |
| InChIKey | FSROIPWWJDBLQB-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 | KRZYFm4yCaS |
|---|---|
| Name | Carbonic acid, but-2-yn-1-yl isobutyl 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/c1-4-5-6-11-9(10)12-7-8(2)3/h8H,6-7H2,1-3H3 |
| InChIKey | FSROIPWWJDBLQB-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | CC(COC(OCC#CC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864942 |