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Specification
The molecular formula of 3-Isobutoxybenzaldehyde is C11H14O2.
The molecular weight of 3-Isobutoxybenzaldehyde is 178.23 g/mol.
The IUPAC name of 3-Isobutoxybenzaldehyde is 3-(2-methylpropoxy)benzaldehyde.
The InChI of 3-Isobutoxybenzaldehyde is InChI=1S/C11H14O2/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-7,9H,8H2,1-2H3.
The InChIKey of 3-Isobutoxybenzaldehyde is KYAHWUCUKPTNKW-UHFFFAOYSA-N.
The canonical SMILES of 3-Isobutoxybenzaldehyde is CC(C)COC1=CC=CC(=C1)C=O.
The CAS number of 3-Isobutoxybenzaldehyde is 67698-69-5.
The European Community (EC) number of 3-Isobutoxybenzaldehyde is 672-091-0.
The DSSTox Substance ID of 3-Isobutoxybenzaldehyde is DTXSID20374775.
Yes, 3-Isobutoxybenzaldehyde is a canonicalized compound according to PubChem.