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1-(4-Ethylthio-2,5-dimethoxyphenyl)-2-nitroethene
SpectraBase Compound ID 3SAIrBB6xPG
InChI InChI=1S/C12H15NO4S/c1-4-18-12-8-10(16-2)9(5-6-13(14)15)7-11(12)17-3/h5-8H,4H2,1-3H3/b6-5-
InChIKey ZKNRQPAJRMNCMS-WAYWQWQTSA-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 8JxesyyWPzM
Name 1-(4-Ethylthio-2,5-dimethoxyphenyl)-2-nitroethene
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 269.072179137 u
Formula C12H15NO4S
InChI InChI=1S/C12H15NO4S/c1-4-18-12-8-10(16-2)9(5-6-13(14)15)7-11(12)17-3/h5-8H,4H2,1-3H3/b6-5-
InChIKey ZKNRQPAJRMNCMS-WAYWQWQTSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 269.315 g/mol
Nominal Mass 269 u
Quality 939
Retention Index 2320
SMILES C=1(C(=CC(=C(C1)OC)SCC)OC)\C=C/[N+](=O)[O-]
SPLASH splash10-06di-9740000000-b168e2b9f9e58f8dee9a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(ethylsulfanyl)-2,5-dimethoxy-4-(nitroethenyl)benzene
Technique GC/MS
Wiley ID DD2024_008479