| SpectraBase Compound ID | HiEhPxI7YRP |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | FVMBSMBXEVMMGH-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F5L5ERCvuwr |
|---|---|
| Name | p-Anisic acid, isopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | FVMBSMBXEVMMGH-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(OC(C=1C=CC(=CC1)OC)=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916129 |