| SpectraBase Compound ID | 57UmUt0Mg8r |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15-2/h3,6-9H,1,4-5,10H2,2H3 |
| InChIKey | GSJLXIQYSOVZQU-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | p2b3ZhOgrH |
|---|---|
| Name | Methyl 4-(pent-4-enyloxy)benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15-2/h3,6-9H,1,4-5,10H2,2H3 |
| InChIKey | GSJLXIQYSOVZQU-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(C1=CC=C(C=C1)OCCCC=C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910932 |