| SpectraBase Compound ID | 2z3svmVHlmh |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-11(2)10-15-8-9-16-13(14)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey | IZSQPHSZUIHECN-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 | EuoxhTk5B19 |
|---|---|
| Name | 2-Isobutoxyethyl benzoate |
| 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/c1-11(2)10-15-8-9-16-13(14)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey | IZSQPHSZUIHECN-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | CC(C)COCCOC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891871 |