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1-(5-nitrothiophen-3-yl)ethanone
SpectraBase Compound ID Cyawn0TJxPi
InChI InChI=1S/C6H5NO3S/c1-4(8)5-2-6(7(9)10)11-3-5/h2-3H,1H3
InChIKey JGXUDXHPIWIXJZ-UHFFFAOYSA-N
Mol Weight 171.17 g/mol
Molecular Formula C6H5NO3S
Exact Mass 170.999014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jmz0eDqgrB
Name 1-(5-nitro-3-thienyl)ethanone
Alternate Name(s) 1-(5-nitro-3-thiophenyl)ethanone 1-(5-nitrothiophen-3-yl)ethanone
CAS Registry Number 58157-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5NO3S
InChI InChI=1S/C6H5NO3S/c1-4(8)5-2-6(7(9)10)11-3-5/h2-3H,1H3
InChIKey JGXUDXHPIWIXJZ-UHFFFAOYSA-N
Molecular Weight 171.170 g/mol
SMILES c1(N(=O)=O)cc(C(=O)C)cs1
SPLASH splash10-0a4i-2900000000-de41188daa2c6e5c50ec
Source of Spectrum B-34-1883-0
Wiley ID 1167710