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2-Methoxy-6-(1-tosylindol-3-yl)tetrahydropyran-4-one
SpectraBase Compound ID 8TwiC04djEW
InChI InChI=1S/C21H21NO5S/c1-14-7-9-16(10-8-14)28(24,25)22-13-18(17-5-3-4-6-19(17)22)20-11-15(23)12-21(26-2)27-20/h3-10,13,20-21H,11-12H2,1-2H3
InChIKey RBZDAJWPJKWFQR-UHFFFAOYSA-N
Mol Weight 399.46 g/mol
Molecular Formula C21H21NO5S
Exact Mass 399.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwXLiOYSd9o
Name 2-Methoxy-6-(1-tosylindol-3-yl)tetrahydropyran-4-one
Alternate Name(s) 2-Methoxy-6-[1-(4-methylphenyl)sulfonyl-3-indolyl]-4-oxanone 2-Methoxy-6-[1-(4-methylphenyl)sulfonylindol-3-yl]oxan-4-one 2-Methoxy-6-[1-(p-tolylsulfonyl)indol-3-yl]tetrahydropyran-4-one
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Formula C21H21NO5S
InChI InChI=1S/C21H21NO5S/c1-14-7-9-16(10-8-14)28(24,25)22-13-18(17-5-3-4-6-19(17)22)20-11-15(23)12-21(26-2)27-20/h3-10,13,20-21H,11-12H2,1-2H3
InChIKey RBZDAJWPJKWFQR-UHFFFAOYSA-N
Molecular Weight 399.461 g/mol
SMILES c1[n](S(c2ccc(cc2)C)(=O)=O)c2c(c1C1OC(OC)CC(C1)=O)cccc2
SPLASH splash10-001i-0947100000-fb134656c2f0611d0009
Source of Spectrum F-68-8000-17
Wiley ID 1573546