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3-Chloranyl-5-[(2E,6E)-7-(5,5-dimethyl-4-oxidanylidene-furan-2-yl)-3-methyl-octa-2,6-dienyl]-2-methyl-4,6-bis(oxidanyl)benzaldehyde
SpectraBase Compound ID 7G539z4aUV4
InChI InChI=1S/C23H27ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,11-12,27-28H,6-7,10H2,1-5H3/b13-9+,14-8+
InChIKey NBIWEELILKYZAL-UAUIHIKDSA-N
Mol Weight 418.92 g/mol
Molecular Formula C23H27ClO5
Exact Mass 418.154702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5owc4Q5kxu
Name 3-Chloranyl-5-[(2E,6E)-7-(5,5-dimethyl-4-oxidanylidene-furan-2-yl)-3-methyl-octa-2,6-dienyl]-2-methyl-4,6-bis(oxidanyl)benzaldehyde
Alternate Name(s) 5-Chloro-2,4-dihydroxy-3-[(2E,6E)-7-(4-keto-5,5-dimethyl-2-furyl)-3-methyl-octa-2,6-dienyl]-6-methyl-benzaldehyde 5-Chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxo-2-furanyl)-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde 5-Chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxo-2-furyl)-3-methyl-octa-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde 5-Chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxofuran-2-yl)-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
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Formula C23H27ClO5
InChI InChI=1S/C23H27ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,11-12,27-28H,6-7,10H2,1-5H3/b13-9+,14-8+
InChIKey NBIWEELILKYZAL-UAUIHIKDSA-N
Molecular Weight 418.917 g/mol
SMILES Oc1c(c(c(c(c1C\C=C\(CC\C=C\(C1=CC(=O)C(O1)(C)C)C)C)O)C=O)C)Cl
SPLASH splash10-014i-2900100000-96e878547d69e1a31b18
Source of Spectrum AJ-68-2732-35
Wiley ID 773351