| SpectraBase Compound ID | CSNZT5s1WM9 |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-10(2)9-11(3)15-13(14)12-7-5-4-6-8-12/h4-9,11H,1-3H3 |
| InChIKey | MDYKXSNZPUQNCK-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IzBp50zeI9t |
|---|---|
| Name | 4-Methylpent-3-en-2-yl benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-10(2)9-11(3)15-13(14)12-7-5-4-6-8-12/h4-9,11H,1-3H3 |
| InChIKey | MDYKXSNZPUQNCK-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(C=1C=CC=CC1)(=O)OC(C)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960152 |