| SpectraBase Compound ID | D5tgikkgejo |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-10-6-8-11(9-7-10)13(14)15-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3 |
| InChIKey | DPGCOFUJTDCPAX-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 | G5geaMEWAdp |
|---|---|
| Name | p-Toluic acid, cyclopentyl ester |
| 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/c1-10-6-8-11(9-7-10)13(14)15-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3 |
| InChIKey | DPGCOFUJTDCPAX-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1(CCCC1)OC(C1=CC=C(C=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947602 |