| SpectraBase Compound ID | IrJjVUFpMP2 |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3,5,8H,1,4,6H2,2H3 |
| InChIKey | VLXXXURHFMMUNC-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Aq7k2MvmSp |
|---|---|
| Name | 2-Cyclohexene-1-carboxylic acid, 5-methylene-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3,5,8H,1,4,6H2,2H3 |
| InChIKey | VLXXXURHFMMUNC-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C(C1CC(=C)CC=C1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91158 |