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1-Propanone, 2-methyl-1-(5-nitro-2-thienyl)-
SpectraBase Compound ID 6Sy1HxHErQA
InChI InChI=1S/C8H9NO3S/c1-5(2)8(10)6-3-4-7(13-6)9(11)12/h3-5H,1-2H3
InChIKey CJFPSYDKFNGJFV-UHFFFAOYSA-N
Mol Weight 199.22 g/mol
Molecular Formula C8H9NO3S
Exact Mass 199.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2ikn2o1Fab
Name 1-Propanone, 2-methyl-1-(5-nitro-2-thienyl)-
Alternate Name(s) 2-Methyl-1-(5'-nitro-2'-thienyl)propan-1-one 2-Methyl-1-(5-nitro-2-thienyl)-1-propanone
CAS Registry Number 83054-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3S
InChI InChI=1S/C8H9NO3S/c1-5(2)8(10)6-3-4-7(13-6)9(11)12/h3-5H,1-2H3
InChIKey CJFPSYDKFNGJFV-UHFFFAOYSA-N
Molecular Weight 199.224 g/mol
SMILES c1(N(=O)=O)sc(C(=O)C(C)C)cc1
SPLASH splash10-0a4l-3900000000-941561bdcfe6bbe92302
Source of Spectrum B-35-982-0
Wiley ID 1196480