| SpectraBase Compound ID | Cn3MXLTASLr |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-8(12)7-9-3-5-10(6-4-9)11(13)14-2/h3-6H,7H2,1-2H3 |
| InChIKey | MMLNFWPLMKLQFK-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2BRgXI8hdJJ |
|---|---|
| Name | Methyl 4-(2-oxopropyl)benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-8(12)7-9-3-5-10(6-4-9)11(13)14-2/h3-6H,7H2,1-2H3 |
| InChIKey | MMLNFWPLMKLQFK-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C(C=1C=CC(=CC1)CC(C)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956602 |