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4-(6-Phenylsulfonylhex-5-en-1-yl)-6-methoxychromane-3-one
SpectraBase Compound ID 9yclsd0bdZ4
InChI InChI=1S/C22H24O5S/c1-26-18-13-12-17-16-27-22(23)20(21(17)15-18)11-7-2-3-8-14-28(24,25)19-9-5-4-6-10-19/h4-6,8-10,12-15,20H,2-3,7,11,16H2,1H3/b14-8+
InChIKey RGFASDFYKYGMEM-RIYZIHGNSA-N
Mol Weight 400.49 g/mol
Molecular Formula C22H24O5S
Exact Mass 400.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2u9AJ23MGb1
Name 4-(6-Phenylsulfonylhex-5-en-1-yl)-6-methoxychromane-3-one
Alternate Name(s) 4-(6-Phenylsulfonylhex-5-en-1-yl)-6-methoxy-isochromane-3-one 6-Methoxy-4-[(5E)-6-(phenylsulfonyl)-5-hexenyl]-2H-chromen-3(4H)-one
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Formula C22H24O5S
InChI InChI=1S/C22H24O5S/c1-26-18-13-12-17-16-27-22(23)20(21(17)15-18)11-7-2-3-8-14-28(24,25)19-9-5-4-6-10-19/h4-6,8-10,12-15,20H,2-3,7,11,16H2,1H3/b14-8+
InChIKey RGFASDFYKYGMEM-RIYZIHGNSA-N
Molecular Weight 400.489 g/mol
SMILES C(\C=C\S(=O)(=O)c1ccccc1)CCCC1c2c(ccc(c2)OC)COC1=O
SPLASH splash10-0059-4971100000-9f33ada06c4ff7d66b43
Source of Spectrum KC-0-1933-12
Wiley ID 822836