| SpectraBase Compound ID | 4YCxAixx8Tr |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-3-4-5-6-7-12-17-15(16)14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3 |
| InChIKey | XPCXKYHMNRJMRA-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JGEuuaQJVY7 |
|---|---|
| Name | p-Toluic acid, heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-3-4-5-6-7-12-17-15(16)14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3 |
| InChIKey | XPCXKYHMNRJMRA-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C(=O)(OCCCCCCC)C=1C=CC(C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939451 |