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(2S,3R)-2-Methyl-1-methylene-3-thiophen-2-yl-1,2,3,4-tetrahydro-xanthen-9-one
SpectraBase Compound ID 5im7QylY4GG
InChI InChI=1S/C19H16O2S/c1-11-12(2)18-16(10-14(11)17-8-5-9-22-17)21-15-7-4-3-6-13(15)19(18)20/h3-9,11,14H,2,10H2,1H3/t11-,14-/m1/s1
InChIKey LFPDXQBJLCGRLP-BXUZGUMPSA-N
Mol Weight 308.4 g/mol
Molecular Formula C19H16O2S
Exact Mass 308.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3HDQw7rn8B
Name (2S,3R)-2-Methyl-1-methylene-3-thiophen-2-yl-1,2,3,4-tetrahydro-xanthen-9-one
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Formula C19H16O2S
InChI InChI=1S/C19H16O2S/c1-11-12(2)18-16(10-14(11)17-8-5-9-22-17)21-15-7-4-3-6-13(15)19(18)20/h3-9,11,14H,2,10H2,1H3/t11-,14-/m1/s1
InChIKey LFPDXQBJLCGRLP-BXUZGUMPSA-N
Molecular Weight 308.395 g/mol
SMILES C1=2C([C@@](C)([C@@](CC2Oc2c(C1=O)cccc2)(c1sccc1)[H])[H])=C
SPLASH splash10-01ox-0090000000-b8f8444879f03753c558
Source of Spectrum KC-0-3739-4
Synonyms (2S,3R)-1-Methylidene-1,2,3,4-tetrahydro-2-methyl-3-(2'-thienyl)-9H-xanthen-9-one (2S/R,3R/S)-1-Methylidene-1,2,3,4-tetrahydro-2-methyl-3-(2'-thienyl)-9H-xanthen-9-one 2-Methyl-1-methylene-3-(2-thienyl)-1,2,3,4-tetrahydro-9H-xanthen-9-one (2S,3R)-2-methyl-1-methylene-3-thiophen-2-yl-3,4-dihydro-2H-xanthen-9-one (2S,3R)-2-methyl-1-methylidene-3-thiophen-2-yl-3,4-dihydro-2H-xanthen-9-one
Wiley ID 832056