| SpectraBase Compound ID | K1Q4rmEtcE6 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-4-10(3)11-8-6-7-9-12(11)16-13(14)15-5-2/h6-10H,4-5H2,1-3H3 |
| InChIKey | PIRPTHCOVGYTRZ-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 | KGbpheW1MR |
|---|---|
| Name | 2-sec-Butylphenol, o-ethoxycarbonyl- |
| 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/c1-4-10(3)11-8-6-7-9-12(11)16-13(14)15-5-2/h6-10H,4-5H2,1-3H3 |
| InChIKey | PIRPTHCOVGYTRZ-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(CC)(C)C1=C(OC(OCC)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839878 |