SpectraBase Compound ID | 2NHNKFvIFYx |
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InChI | InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12) |
InChIKey | MIEKOFWWHVOKQX-UHFFFAOYSA-N |
Mol Weight | 196.2 g/mol |
Molecular Formula | C10H12O4 |
Exact Mass | 196.073559 g/mol |
SpectraBase Spectrum ID | 3WpKIFm8vGK |
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Name | 2-(4-Methoxyphenoxy)propanoic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 196.073558862 u |
Formula | C10H12O4 |
InChI | InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12) |
InChIKey | MIEKOFWWHVOKQX-UHFFFAOYSA-N |
Molecular Weight | 196.202 g/mol |
SMILES | C(OC1=CC=C(C=C1)OC)(C)C(=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852894 |