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1,1-Dimethylsulfinyl-2-(4-methoxy-3-nitrobenzoyl)ethylene
SpectraBase Compound ID I9wRCne5H1M
InChI InChI=1S/C12H13NO6S2/c1-19-11-5-4-8(6-9(11)13(15)16)10(14)7-12(20(2)17)21(3)18/h4-7H,1-3H3
InChIKey BTSQGVQRTUOTBP-UHFFFAOYSA-N
Mol Weight 331.36 g/mol
Molecular Formula C12H13NO6S2
Exact Mass 331.018429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qr32Kuqnro
Name 1,1-Dimethylsulfinyl-2-(4-methoxy-3-nitrobenzoyl)ethylene
Alternate Name(s) 1-(4-Methoxy-3-nitrophenyl)-3,3-bis(methylsulfinyl)-2-propen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO6S2
InChI InChI=1S/C12H13NO6S2/c1-19-11-5-4-8(6-9(11)13(15)16)10(14)7-12(20(2)17)21(3)18/h4-7H,1-3H3
InChIKey BTSQGVQRTUOTBP-UHFFFAOYSA-N
Molecular Weight 331.357 g/mol
SMILES C(=CC(c1cc(N(=O)=O)c(cc1)OC)=O)(S(=O)C)S(=O)C
SPLASH splash10-0f89-0890000000-2a752afd8f41d1706e57
Source of Spectrum SO-0-232-6
Wiley ID 876240