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3-chloranyl-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methyl-4,6-bis(oxidanyl)benzaldehyde
SpectraBase Compound ID 27LxUdZLF1f
InChI InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+
InChIKey UEUMAXMCCDEOIJ-XYOKQWHBSA-N
Mol Weight 322.83 g/mol
Molecular Formula C18H23ClO3
Exact Mass 322.133572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnaLSQ2dNNj
Name 3-chloranyl-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methyl-4,6-bis(oxidanyl)benzaldehyde
CAS Registry Number 83324-48-5
Comments Less than 3 mono-isotopic peaks
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Formula C18H23ClO3
InChI InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+
InChIKey UEUMAXMCCDEOIJ-XYOKQWHBSA-N
Molecular Weight 322.832 g/mol
SMILES Oc1c(c(c(c(c1C\C=C\(CCC=C(C)C)C)O)C=O)C)Cl
SPLASH splash10-00di-0009000000-6220ce18ce20b37bd386
Source of Spectrum F-38-1224-0
Synonyms Benzaldehyde, 3-chloro-5-(3,7-dimethyl-2,6-octadienyl)-4,6-dihydroxy-2-methyl-, (E)- 5-chloro-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde Colletochlorin B
Wiley ID 1321678