| SpectraBase Compound ID | CWa12YFiLdz |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-8(2)11(14,10(12)13)9-6-4-3-5-7-9/h3-8,14H,1-2H3,(H,12,13) |
| InChIKey | KWPNNDWNSLBFPU-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5Z2iC0k690k |
|---|---|
| Name | alpha-Isopropylmandelic acid |
| 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/c1-8(2)11(14,10(12)13)9-6-4-3-5-7-9/h3-8,14H,1-2H3,(H,12,13) |
| InChIKey | KWPNNDWNSLBFPU-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | OC(C(C1=CC=CC=C1)(C(C)C)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.972684 |