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5-Methoxy-2-(1'-pentenyl)-7-[(methoxycarbonyl)methyl]-2,3-dihydro-benzopyran-4(4H)-one
SpectraBase Compound ID IqGYcc5fcbK
InChI InChI=1S/C18H22O5/c1-4-5-6-7-13-11-14(19)18-15(21-2)8-12(9-16(18)23-13)10-17(20)22-3/h6-9,13H,4-5,10-11H2,1-3H3/b7-6+
InChIKey OQPGWHKUIDFUPA-VOTSOKGWSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3odJxNoYv2
Name 5-Methoxy-2-(1'-pentenyl)-7-[(methoxycarbonyl)methyl]-2,3-dihydro-benzopyran-4(4H)-one
Alternate Name(s) 5-Methoxy-2-(1'-pentenyl)-7-[(methoxycarbonyl)methyl]-benzopyran-4(4H)-one Cavoxinone-methyl ester Methyl {5-methoxy-4-oxo-2-[(1E)-1-pentenyl]-3,4-dihydro-2H-chromen-7-yl}acetate
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Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-4-5-6-7-13-11-14(19)18-15(21-2)8-12(9-16(18)23-13)10-17(20)22-3/h6-9,13H,4-5,10-11H2,1-3H3/b7-6+
InChIKey OQPGWHKUIDFUPA-VOTSOKGWSA-N
Molecular Weight 318.369 g/mol
SMILES c12C(CC(Oc2cc(cc1OC)CC(=O)OC)\C=C\CCC)=O
SPLASH splash10-00or-0595000000-63fdf1262c674231d208
Source of Spectrum X2-50-177-5
Wiley ID 1602170