| SpectraBase Compound ID | DCFEPHeQZoT |
|---|---|
| InChI | InChI=1S/C14H19ClO3/c1-10(9-17-14(2,3)4)18-13(16)11-6-5-7-12(15)8-11/h5-8,10H,9H2,1-4H3 |
| InChIKey | DJPDXMBCECMVOI-UHFFFAOYSA-N |
| Mol Weight | 270.76 g/mol |
| Molecular Formula | C14H19ClO3 |
| Exact Mass | 270.102272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 84kTc81vYnP |
|---|---|
| Name | 1-Tert-butoxypropan-2-yl 3-chlorobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.102272169 u |
| Formula | C14H19ClO3 |
| InChI | InChI=1S/C14H19ClO3/c1-10(9-17-14(2,3)4)18-13(16)11-6-5-7-12(15)8-11/h5-8,10H,9H2,1-4H3 |
| InChIKey | DJPDXMBCECMVOI-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OCC(OC(=O)C1=CC=CC(=C1)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820951 |