| SpectraBase Compound ID | EIcQ44uYhwe |
|---|---|
| InChI | InChI=1S/C12H12O5/c1-7(13)9-3-2-8(4-5-11(14)15)10(6-9)12(16)17/h2-3,6H,4-5H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | SFGFEGVBCMDLDX-UHFFFAOYSA-N |
| Mol Weight | 236.22 g/mol |
| Molecular Formula | C12H12O5 |
| Exact Mass | 236.068473 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EZIceCWnsAJ |
|---|---|
| Name | 5-Acetyl-2-(2-carboxyethyl)benzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12O5 |
| InChI | InChI=1S/C12H12O5/c1-7(13)9-3-2-8(4-5-11(14)15)10(6-9)12(16)17/h2-3,6H,4-5H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | SFGFEGVBCMDLDX-UHFFFAOYSA-N |
| Molecular Weight | 236.223 g/mol |
| SMILES | OC(CCc1ccc(cc1C(=O)O)C(=O)C)=O |
| SPLASH | splash10-00ou-3980000000-aa16edadd717b39eac50 |
| Source of Spectrum | K1-2001-1666-9 |
| Wiley ID | 846426 |