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2-Cyano-3-methoxycarbonylmethylthio-1,4-benzodithiin-1,1-dioxide
SpectraBase Compound ID JVPonMd9Vsj
InChI InChI=1S/C12H9NO4S3/c1-17-11(14)7-18-12-10(6-13)20(15,16)9-5-3-2-4-8(9)19-12/h2-5H,7H2,1H3
InChIKey UNVKZRZZZJLQBN-UHFFFAOYSA-N
Mol Weight 327.39 g/mol
Molecular Formula C12H9NO4S3
Exact Mass 326.969371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JezQwHWL7Bb
Name 2-Cyano-3-methoxycarbonylmethylthio-1,4-benzodithiin-1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO4S3
InChI InChI=1S/C12H9NO4S3/c1-17-11(14)7-18-12-10(6-13)20(15,16)9-5-3-2-4-8(9)19-12/h2-5H,7H2,1H3
InChIKey UNVKZRZZZJLQBN-UHFFFAOYSA-N
Molecular Weight 327.387 g/mol
SMILES C=1(S(c2c(SC1SCC(=O)OC)cccc2)(=O)=O)C#N
SPLASH splash10-002b-2895000000-a25ba8e8e25cb609b511
Source of Spectrum SO-0-855-4
Synonyms Methyl[(3-cyano-4,4-dioxido-1,4-benzodithiin-2-yl)sulfanyl]acetate
Wiley ID 1538262