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4-(5-Phenylsulfonylpent-4-en-1-yl)-6-methoxychromane-3-one
SpectraBase Compound ID CazlBa2LJB3
InChI InChI=1S/C21H22O5S/c1-25-17-12-11-16-15-26-21(22)19(20(16)14-17)10-6-3-7-13-27(23,24)18-8-4-2-5-9-18/h2,4-5,7-9,11-14,19H,3,6,10,15H2,1H3/b13-7+
InChIKey BHOXYYXCZCYZKP-NTUHNPAUSA-N
Mol Weight 386.46 g/mol
Molecular Formula C21H22O5S
Exact Mass 386.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELUaGjvtgxW
Name 4-(5-Phenylsulfonylpent-4-en-1-yl)-6-methoxychromane-3-one
Alternate Name(s) 4-(5-Phenylsulfonylpent-4-en-1-yl)-6-methoxy-isochromane-3-one 6-Methoxy-4-[(4E)-5-(phenylsulfonyl)-4-pentenyl]-2H-chromen-3(4H)-one 4-[(E)-5-(benzenesulfonyl)pent-4-enyl]-6-methoxy-3,4-dihydro-1H-2-benzopyran-3-one 4-[(E)-5-(benzenesulfonyl)pent-4-enyl]-6-methoxy-1,4-dihydroisochromen-3-one 4-[(E)-5-(benzenesulfonyl)pent-4-enyl]-6-methoxy-isochroman-3-one 6-Methoxy-4-[(E)-5-(phenylsulfonyl)pent-4-enyl]-1,4-dihydroisochromen-3-one
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Formula C21H22O5S
InChI InChI=1S/C21H22O5S/c1-25-17-12-11-16-15-26-21(22)19(20(16)14-17)10-6-3-7-13-27(23,24)18-8-4-2-5-9-18/h2,4-5,7-9,11-14,19H,3,6,10,15H2,1H3/b13-7+
InChIKey BHOXYYXCZCYZKP-NTUHNPAUSA-N
Molecular Weight 386.462 g/mol
SMILES C(\C=C\S(=O)(=O)c1ccccc1)CCC1c2c(ccc(c2)OC)COC1=O
SPLASH splash10-00os-1961000000-29edd855b8b947ae1765
Source of Spectrum KC-0-1933-12
Wiley ID 822834