| SpectraBase Compound ID | 5HJIkVpSTjH |
|---|---|
| InChI | InChI=1S/C9H14O/c1-7-4-3-5-9(6-7)8(2)10/h4,9H,3,5-6H2,1-2H3 |
| InChIKey | CJERZJTXBLMROX-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BSC7Vo1u2lU |
|---|---|
| Name | 1-(3-Methyl-1-cyclohex-3-enyl)ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-7-4-3-5-9(6-7)8(2)10/h4,9H,3,5-6H2,1-2H3 |
| InChIKey | CJERZJTXBLMROX-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C=1(CC(C(=O)C)CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814076 |