| SpectraBase Compound ID | LPhvWzU8Jge |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-8(2)12(13)14-11-6-5-9(3)7-10(11)4/h5-8H,1-4H3 |
| InChIKey | PJDIKPIASIAGSY-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JMd6zTBDPEN |
|---|---|
| Name | 2,4-Dimethylphenol, 2-methylpropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-8(2)12(13)14-11-6-5-9(3)7-10(11)4/h5-8H,1-4H3 |
| InChIKey | PJDIKPIASIAGSY-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | CC1=C(OC(C(C)C)=O)C=CC(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87693 |