| SpectraBase Compound ID | B6zOMw2bxzg |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-3-7-13-11(12)14-10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | MJZDMTIUHXQYGG-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3MpimU2YdgA |
|---|---|
| Name | Carbonic acid, propyl 3-methylphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-3-7-13-11(12)14-10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | MJZDMTIUHXQYGG-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C(C)COC(=O)OC1=CC(C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91373 |