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2-[4'-(Benzenesulfinyl)phenyl]-2-methyl-6-[(ethylamino)carbonyl]oxy-3-oxo-3,6-dihydro-2H-pyran
SpectraBase Compound ID GnRR19CRVpA
InChI InChI=1S/C21H21NO5S/c1-3-22-20(24)26-19-14-13-18(23)21(2,27-19)15-9-11-17(12-10-15)28(25)16-7-5-4-6-8-16/h4-14,19H,3H2,1-2H3,(H,22,24)
InChIKey WKGIMALFIXZMNY-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 HlRfY24DmCc
Name 2-[4'-(Benzenesulfinyl)phenyl]-2-methyl-6-[(ethylamino)carbonyl]oxy-3-oxo-3,6-dihydro-2H-pyran
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Formula C21H21NO5S
InChI InChI=1S/C21H21NO5S/c1-3-22-20(24)26-19-14-13-18(23)21(2,27-19)15-9-11-17(12-10-15)28(25)16-7-5-4-6-8-16/h4-14,19H,3H2,1-2H3,(H,22,24)
InChIKey WKGIMALFIXZMNY-UHFFFAOYSA-N
Molecular Weight 399.461 g/mol
SMILES N(C(OC1OC(C(C=C1)=O)(c1ccc(S(=O)c2ccccc2)cc1)C)=O)CC
SPLASH splash10-0564-9460000000-ff1d2e0fba596a1d0da7
Source of Spectrum Y-32-580-4
Synonyms 6-Methyl-5-oxo-6-[4-(phenylsulfinyl)phenyl]-5,6-dihydro-2H-pyran-2-yl ethylcarbamate
Wiley ID 1368941