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Ethyl 3-[2-Nitro-4-(trifluoromethyl)phenyl]-2-propylthio)propanoate
SpectraBase Compound ID Fjixcx5kZ1d
InChI InChI=1S/C15H18F3NO4S/c1-3-7-24-13(14(20)23-4-2)8-10-5-6-11(15(16,17)18)9-12(10)19(21)22/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKey OTKWMEDHDOOKNU-UHFFFAOYSA-N
Mol Weight 365.37 g/mol
Molecular Formula C15H18F3NO4S
Exact Mass 365.090864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2MHkTkGfJ2
Name Ethyl 3-[2-Nitro-4-(trifluoromethyl)phenyl]-2-propylthio)propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C15H18F3NO4S
InChI InChI=1S/C15H18F3NO4S/c1-3-7-24-13(14(20)23-4-2)8-10-5-6-11(15(16,17)18)9-12(10)19(21)22/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKey OTKWMEDHDOOKNU-UHFFFAOYSA-N
Molecular Weight 365.367 g/mol
SMILES c1(N(=O)=O)cc(C(F)(F)F)ccc1CC(C(=O)OCC)SCCC
SPLASH splash10-03di-0902000000-8555f6f3abd377d397ba
Source of Spectrum U1-2004-322-27
Wiley ID 1560140