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3-(hydroxymethyl)-7-methoxy-3-pentyl-2H-chromen-4-one
SpectraBase Compound ID IpBl5pDr0Yz
InChI InChI=1S/C16H22O4/c1-3-4-5-8-16(10-17)11-20-14-9-12(19-2)6-7-13(14)15(16)18/h6-7,9,17H,3-5,8,10-11H2,1-2H3
InChIKey OXEQSAYNSTZDHC-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7u2DomjjldJ
Name 3-(hydroxymethyl)-7-methoxy-3-pentyl-2H-chromen-4-one
Alternate Name(s) 3-(hydroxymethyl)-7-methoxy-3-pentyl-3,4-dihydro-2H-1-benzopyran-4-one 3-(hydroxymethyl)-7-methoxy-3-pentyl-chroman-4-one 3-Amyl-7-methoxy-3-methylol-chroman-4-one
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Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-3-4-5-8-16(10-17)11-20-14-9-12(19-2)6-7-13(14)15(16)18/h6-7,9,17H,3-5,8,10-11H2,1-2H3
InChIKey OXEQSAYNSTZDHC-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES OCC1(COc2c(C1=O)ccc(c2)OC)CCCCC
SPLASH splash10-0pb9-0960000000-8e687acbd9bd88741e81
Source of Spectrum KC-57-7399-6
Wiley ID 1625542