| SpectraBase Compound ID | F7gUPXduYbk |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey | DLYVSJDCQZVKMD-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8lb4GAUjzYf |
|---|---|
| Name | Benzoic acid, 3-(1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey | DLYVSJDCQZVKMD-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | CC(C)C1=CC(C(O)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855314 |