| SpectraBase Compound ID | Bj97faMIkHV |
|---|---|
| InChI | InChI=1S/C7H10O3/c1-5-3-7(2,4-8)10-6(5)9/h8H,1,3-4H2,2H3 |
| InChIKey | QDCDBMNKEVDWMU-UHFFFAOYSA-N |
| Mol Weight | 142.15 g/mol |
| Molecular Formula | C7H10O3 |
| Exact Mass | 142.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HktC4rkhH52 |
|---|---|
| Name | 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-5-methyl-3-methylene-, (.+-.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.062994179 u |
| Formula | C7H10O3 |
| InChI | InChI=1S/C7H10O3/c1-5-3-7(2,4-8)10-6(5)9/h8H,1,3-4H2,2H3 |
| InChIKey | QDCDBMNKEVDWMU-UHFFFAOYSA-N |
| SMILES | C1(OC(CO)(C)CC1=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86677 |