| SpectraBase Compound ID | LfpfI16UBno |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-6(9)5-8-4-3-7(2)10-8/h5,7H,3-4H2,1-2H3/b8-5+ |
| InChIKey | IOTIWGSZUNUQRZ-VMPITWQZSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ULwQWsmWFc |
|---|---|
| Name | (1E)-1-(5-Methyl-2-oxolanylidene)-2-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-6(9)5-8-4-3-7(2)10-8/h5,7H,3-4H2,1-2H3/b8-5+ |
| InChIKey | IOTIWGSZUNUQRZ-VMPITWQZSA-N |
| SMILES | C(\C=C\1OC(C)CC1)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802101 |