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1,1-Diethyl-5-nitro-1H-indolium-2-thiolate
SpectraBase Compound ID 8WRa9z36Q8I
InChI InChI=1S/C12H14N2O2S/c1-3-14(4-2)11-6-5-10(13(15)16)7-9(11)8-12(14)17/h5-8H,3-4H2,1-2H3
InChIKey CPYJCYFDQOEPAG-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C12H14N2O2S
Exact Mass 250.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5HBWfkI7IX
Name 1,1-Diethyl-5-nitro-1H-indolium-2-thiolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2S
InChI InChI=1S/C12H14N2O2S/c1-3-14(4-2)11-6-5-10(13(15)16)7-9(11)8-12(14)17/h5-8H,3-4H2,1-2H3
InChIKey CPYJCYFDQOEPAG-UHFFFAOYSA-N
Molecular Weight 250.316 g/mol
SMILES c1([n+](c2c(c1)cc(cc2)N(=O)=O)(CC)CC)[S-]
SPLASH splash10-000i-0190000000-70156f6ddc523e9f8d7b
Source of Spectrum J-73-8613-3b
Synonyms 1,1-Diethyl-5-nitro-2-indol-1-iumthiolate 1,1-Diethyl-5-nitroindol-1-ium-2-thiolate
Wiley ID 1668792