SpectraBase Compound ID | GGEvqVFxFZO |
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InChI | InChI=1S/C12H16O3/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3 |
InChIKey | UXPTXOYCOCXVQX-UHFFFAOYSA-N |
Mol Weight | 208.26 g/mol |
Molecular Formula | C12H16O3 |
Exact Mass | 208.109944 g/mol |
SpectraBase Spectrum ID | AB4d9AA0Tvi |
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Name | Benzeneacetic acid, .alpha.-hydroxy-, 2-methylpropyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 208.109944372 u |
Formula | C12H16O3 |
InChI | InChI=1S/C12H16O3/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3 |
InChIKey | UXPTXOYCOCXVQX-UHFFFAOYSA-N |
Molecular Weight | 208.257 g/mol |
SMILES | C1=C(C=CC=C1)C(C(OCC(C)C)=O)O |