| SpectraBase Compound ID | GsKbcapBwxJ |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-7(2)5(8)3-4-6(7)9/h3-4H2,1-2H3 |
| InChIKey | VXVZVJNSRQRUTI-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EUs8Q8GtXe5 |
|---|---|
| Name | 1,3-Cyclopentanedione, 2,2-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-7(2)5(8)3-4-6(7)9/h3-4H2,1-2H3 |
| InChIKey | VXVZVJNSRQRUTI-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | CC1(C)C(=O)CCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96872 |