Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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4-Isopropylbenzaldehyde; Benzaldehyde, p-isopropyl-; Cumaldehyde; P-ISOPROPYLBENZALDEHYDE; cuminal; cuminic aldehyde; p-Isopropylbenzaldehyde; 4-(1-methylethyl)benzaldehyde; Benzaldehyde, 4-(1-methylethyl)-; p-Cumic aldehyde; 4-Isopropylbenzenecarboxylate
Molecular Formula: C10H12O
Natural Isotopic Abundance Mass: 148.20168
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
PubChem Compound (CID): 326Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)