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3,6-Dimethoxy-11-phenyl-13-oxatetracyclo[6.4.1.0(2,7).0(9,12)]trideca-2,4,6,10-tetraene-10-carbaldehyde
SpectraBase Compound ID BJQI1bXbOrK
InChI InChI=1S/C21H18O4/c1-23-13-8-9-14(24-2)18-17(13)20-16-12(10-22)15(19(16)21(18)25-20)11-6-4-3-5-7-11/h3-10,16,19-21H,1-2H3
InChIKey LFFDQYPOKWHCQT-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pdXBZtpJ9T
Name 3,6-Dimethoxy-11-phenyl-13-oxatetracyclo[6.4.1.0(2,7).0(9,12)]trideca-2,4,6,10-tetraene-10-carbaldehyde
Alternate Name(s) (1S*,8R*,9S*,12R*)-3,6-Dimethoxy-11-phenyl-13-oxatetracyclo[6.4.1.0(2,7).0(9,12)]trideca-2,4,6,10-tetraene-10-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-23-13-8-9-14(24-2)18-17(13)20-16-12(10-22)15(19(16)21(18)25-20)11-6-4-3-5-7-11/h3-10,16,19-21H,1-2H3
InChIKey LFFDQYPOKWHCQT-UHFFFAOYSA-N
Molecular Weight 334.371 g/mol
SMILES C1(=C(C=O)C2C3c4c(ccc(c4C(C12)O3)OC)OC)c1ccccc1
SPLASH splash10-053r-0009000000-ad65ac6b7429650dfd58
Source of Spectrum QE-6-3711-5
Wiley ID 845087