| SpectraBase Compound ID | CTcYjnNa2cX |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
| InChIKey | GDFUWFOCYZZGQU-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Jh3DhOI0TMU |
|---|---|
| Name | p-Propoxybenzoic 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/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
| InChIKey | GDFUWFOCYZZGQU-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | OC(C1=CC=C(C=C1)OCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.989306 |