| SpectraBase Compound ID | HwC3MPFjQ6D |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-3,6-7H2,1H3 |
| InChIKey | RLTWFKICPYLMQF-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D42E7Is6Zn3 |
|---|---|
| Name | 2(3H)-Furanone, dihydro-5-(1-pentynyl)-, (.+-.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-3,6-7H2,1H3 |
| InChIKey | RLTWFKICPYLMQF-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C1(OC(C#CCCC)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97155 |