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2H-1-Benzothiopyranium, 3,4-dihydro-3-methyl-4-oxo-, 2-methoxy-1-(methoxycarbonyl)-2-oxoethylide
SpectraBase Compound ID 18ULKM7O9M1
InChI InChI=1S/C15H16O5S/c1-9-8-21(13(14(17)19-2)15(18)20-3)11-7-5-4-6-10(11)12(9)16/h4-7,9H,8H2,1-3H3
InChIKey RJTISQZYJQGGIR-UHFFFAOYSA-N
Mol Weight 308.35 g/mol
Molecular Formula C15H16O5S
Exact Mass 308.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeRhMY2ik5n
Name 2H-1-Benzothiopyranium, 3,4-dihydro-3-methyl-4-oxo-, 2-methoxy-1-(methoxycarbonyl)-2-oxoethylide
Alternate Name(s) 3-Methyl-4-oxothiochroman-1-io-(bismethoxycarbonyl)methanide Dimethyl 2-(3-methyl-4-oxo-3,4-dihydro-1-benzothiopyran-1(2H)-ylidene)malonate
CAS Registry Number 80870-07-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O5S
InChI InChI=1S/C15H16O5S/c1-9-8-21(13(14(17)19-2)15(18)20-3)11-7-5-4-6-10(11)12(9)16/h4-7,9H,8H2,1-3H3
InChIKey RJTISQZYJQGGIR-UHFFFAOYSA-N
Molecular Weight 308.348 g/mol
SMILES C(=S1c2c(cccc2)C(C(C1)C)=O)(C(=O)OC)C(=O)OC
SPLASH splash10-03fr-0910000000-5bcb1fbf9314b8d9df5f
Source of Spectrum KC-1981-2980-0
Wiley ID 1309523