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1-Methyl-4-[(E)-3-nitropent-3-enyl]sulfonyl-benzene
SpectraBase Compound ID K90HlM0Shff
InChI InChI=1S/C12H15NO4S/c1-3-11(13(14)15)8-9-18(16,17)12-6-4-10(2)5-7-12/h3-7H,8-9H2,1-2H3/b11-3+
InChIKey ZQRGVCZLDHGJEP-QDEBKDIKSA-N
Mol Weight 269.31 g/mol
Molecular Formula C12H15NO4S
Exact Mass 269.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SJhZ0T9msB
Name 1-Methyl-4-[(E)-3-nitropent-3-enyl]sulfonyl-benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4S
InChI InChI=1S/C12H15NO4S/c1-3-11(13(14)15)8-9-18(16,17)12-6-4-10(2)5-7-12/h3-7H,8-9H2,1-2H3/b11-3+
InChIKey ZQRGVCZLDHGJEP-QDEBKDIKSA-N
Molecular Weight 269.315 g/mol
SMILES C\C=C/(CCS(=O)(=O)c1ccc(C)cc1)N(=O)=O
SPLASH splash10-00di-8390000000-55ac423bd7bb794054e4
Source of Spectrum AJ-67-3091-12
Wiley ID 772849