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2H-1-Benzothiopyranium, 6-chloro-3,4-dihydro-4-oxo-, 2-methoxy-1-(methoxycarbonyl)-2-oxoethylide
SpectraBase Compound ID 7yKPFOi4bIt
InChI InChI=1S/C14H13ClO5S/c1-19-13(17)12(14(18)20-2)21-6-5-10(16)9-7-8(15)3-4-11(9)21/h3-4,7H,5-6H2,1-2H3
InChIKey UYGWAAJMNYOQBR-UHFFFAOYSA-N
Mol Weight 328.77 g/mol
Molecular Formula C14H13ClO5S
Exact Mass 328.017222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lw9s4A2EI6G
Name 2H-1-Benzothiopyranium, 6-chloro-3,4-dihydro-4-oxo-, 2-methoxy-1-(methoxycarbonyl)-2-oxoethylide
Alternate Name(s) 6-Chloro-4-oxothiochroman-1-io(bismethoxycarbonyl)methanide Dimethyl 2-(6-chloro-4-oxo-3,4-dihydro-1-benzothiopyran-1(2H)-ylidene)malonate
CAS Registry Number 77820-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClO5S
InChI InChI=1S/C14H13ClO5S/c1-19-13(17)12(14(18)20-2)21-6-5-10(16)9-7-8(15)3-4-11(9)21/h3-4,7H,5-6H2,1-2H3
InChIKey UYGWAAJMNYOQBR-UHFFFAOYSA-N
Molecular Weight 328.766 g/mol
SMILES C(=S1c2c(cc(cc2)Cl)C(CC1)=O)(C(=O)OC)C(=O)OC
SPLASH splash10-003r-0769000000-48c9ec129e16d392f23b
Source of Spectrum KC-1981-2980-0
Wiley ID 1325934