| SpectraBase Compound ID | FSawnwDAKXs |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-5-7(2)6-10(8(3)11)9(4)12/h5,10H,6H2,1-4H3/b7-5- |
| InChIKey | NPRNALKQJCPRLW-ALCCZGGFSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DXmIt81vAnu |
|---|---|
| Name | 2,4-Pentanedione, 3-(2-methyl-2-butenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-5-7(2)6-10(8(3)11)9(4)12/h5,10H,6H2,1-4H3/b7-5- |
| InChIKey | NPRNALKQJCPRLW-ALCCZGGFSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(C(=O)C)(C(=O)C)C\C(=C/C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972035 |