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2,2-DIMETHYL-1-(5'-NITRO-2'-THIENYL)-PROPAN-1-ONE
SpectraBase Compound ID FVMjw1YfpP0
InChI InChI=1S/C9H11NO3S/c1-9(2,3)8(11)6-4-5-7(14-6)10(12)13/h4-5H,1-3H3
InChIKey TZCZIOFJPQBPET-UHFFFAOYSA-N
Mol Weight 213.25 g/mol
Molecular Formula C9H11NO3S
Exact Mass 213.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HukdNeLsaVY
Name 1-Propanone, 2,2-dimethyl-1-(5-nitro-2-thienyl)-
Alternate Name(s) 2,2-Dimethyl-1-(5'-nitro-2'-thienyl)propan-1-one 2,2-Dimethyl-1-(5-nitro-2-thienyl)-1-propanone
CAS Registry Number 83054-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO3S
InChI InChI=1S/C9H11NO3S/c1-9(2,3)8(11)6-4-5-7(14-6)10(12)13/h4-5H,1-3H3
InChIKey TZCZIOFJPQBPET-UHFFFAOYSA-N
Molecular Weight 213.251 g/mol
SMILES c1(N(=O)=O)sc(C(C(C)(C)C)=O)cc1
SPLASH splash10-054o-9600000000-8c9fb1fd72053f885673
Source of Spectrum B-35-981-0
Wiley ID 1212360