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8-(prop-2-en-1-yl)-3-cyclohexyl-6-methoxy-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID Cclx6byX91
InChI InChI=1S/C22H26O3/c1-3-7-14-10-17-21-18(13-25-22(17)20(11-14)24-2)16(12-19(21)23)15-8-5-4-6-9-15/h3,10-11,15-16H,1,4-9,12-13H2,2H3
InChIKey VNGSVIBCCVNHIT-UHFFFAOYSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqsaMiJoyuU
Name 8-(prop-2-en-1-yl)-3-cyclohexyl-6-methoxy-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Colorless solid
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Exact Mass 338.188194694 u
Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-3-7-14-10-17-21-18(13-25-22(17)20(11-14)24-2)16(12-19(21)23)15-8-5-4-6-9-15/h3,10-11,15-16H,1,4-9,12-13H2,2H3
InChIKey VNGSVIBCCVNHIT-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 338.447 g/mol
Quality 94
Reported Formula C22H26O3
SMILES C12=C(C3=C(CO2)C(CC3=O)C2CCCCC2)C=C(C=C1OC)CC=C
SPLASH splash10-0a4i-9067000000-8c1d685d25dc8fb6d22e
Source of Spectrum ACI-61-SM27-2v (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.22 (hexane/EtOAc, 5:1)
Wiley ID 1897935