| SpectraBase Compound ID | C3xtYO084Ar |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey | QPVBLLQBUNVSJT-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IUYmEk68b2g |
|---|---|
| Name | 3-Isopropoxy-benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey | QPVBLLQBUNVSJT-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C(C1=CC(OC(C)C)=CC=C1)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961806 |