Specification: |
From molecular structure of 3-(4-Bromophenyl)propionaldehyde (CAS NO.80793-25-5) ,we can know:
SMILES: Brc1ccc(cc1)CCC=O
InChI: InChI=1/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H,1-2H2
InChIKey: RXZJWVPNFPPSEM-UHFFFAOYAR
Std. InChI: InChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H,1-2H2
Std. InChIKey: RXZJWVPNFPPSEM-UHFFFAOYSA-N
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