95465-99-9 Purity
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Specification
The molecular formula is C12H17NO2.
The synonyms are 95469-38-8, 7,8-DIMETHOXY-2,3,4,5-TETRAHYDRO-2-BENZAZEPINE, 7,8-Dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine, 1H-2-Benzazepine, 2,3,4,5-tetrahydro-7,8-dimethoxy-, 7,8-Dimethoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepine.
The molecular weight is 207.27 g/mol.
The IUPAC name is 7,8-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine.
The InChI is InChI=1S/C12H17NO2/c1-14-11-6-9-4-3-5-13-8-10(9)7-12(11)15-2/h6-7,13H,3-5,8H2,1-2H3.
The InChIKey is QHNGDKGTMYVCMX-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=C2CNCCCC2=C1)OC.
The CAS number is 95469-38-8.
Yes, it is a canonicalized compound.