| SpectraBase Compound ID | LKv6yevCzMo |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3 |
| InChIKey | ZQYLDVNTWDEAJI-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 | JY6bi8t9zK2 |
|---|---|
| Name | (p-Methoxyphenyl)acetic acid, methyl ester |
| 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/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3 |
| InChIKey | ZQYLDVNTWDEAJI-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C=1C(=CC=C(C1)OC)CC(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.950592 |