| SpectraBase Compound ID | 33xzexG16vK |
|---|---|
| InChI | InChI=1S/C8H10O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2,5-6H2,1H3 |
| InChIKey | YVGBQGHJBULGDD-UHFFFAOYSA-N |
| Mol Weight | 138.17 g/mol |
| Molecular Formula | C8H10O2 |
| Exact Mass | 138.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BtK7qr0BqdC |
|---|---|
| Name | 5-but-1-Ynyloxolan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.068079560 u |
| Formula | C8H10O2 |
| InChI | InChI=1S/C8H10O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2,5-6H2,1H3 |
| InChIKey | YVGBQGHJBULGDD-UHFFFAOYSA-N |
| Molecular Weight | 138.166 g/mol |
| SMILES | C1(OC(CC1)=O)C#CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960052 |