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(E)-[2-(Methylthio)piperonylidene]nitromethane
SpectraBase Compound ID B5xRflwtJGg
InChI InChI=1S/C10H9NO4S/c1-16-10-7(4-5-11(12)13)2-3-8-9(10)15-6-14-8/h2-5H,6H2,1H3/b5-4+
InChIKey MDQKUHJOTDHHII-SNAWJCMRSA-N
Mol Weight 239.24 g/mol
Molecular Formula C10H9NO4S
Exact Mass 239.025229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdLegfR28fZ
Name (E)-[2-(Methylthio)piperonylidene]nitromethane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO4S
InChI InChI=1S/C10H9NO4S/c1-16-10-7(4-5-11(12)13)2-3-8-9(10)15-6-14-8/h2-5H,6H2,1H3/b5-4+
InChIKey MDQKUHJOTDHHII-SNAWJCMRSA-N
Molecular Weight 239.245 g/mol
SMILES c1(\C=C\N(=O)=O)c(c2OCOc2cc1)SC
SPLASH splash10-004l-0900000000-ecd65e693e81c710f244
Source of Spectrum F-54-9028-4
Synonyms 4-(methylsulfanyl)-5-[(E)-2-nitroethenyl]-1,3-benzodioxole Methyl 5-[(E)-2-nitroethenyl]-1,3-benzodioxol-4-yl sulfide
Wiley ID 808149