| SpectraBase Compound ID | JfYCvdpcsOX |
|---|---|
| InChI | InChI=1S/C8H14O/c1-6-4-5-7(9)8(6,2)3/h6H,4-5H2,1-3H3/t6-/m1/s1 |
| InChIKey | AVFZQHWFGFKQIG-ZCFIWIBFSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5QEMuAIcTMl |
|---|---|
| Name | (+)-(3R)-2,2,3-trimethyl-cyclopentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-6-4-5-7(9)8(6,2)3/h6H,4-5H2,1-3H3/t6-/m1/s1 |
| InChIKey | AVFZQHWFGFKQIG-ZCFIWIBFSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C1(C([C@@](CC1)(C)[H])(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955888 |