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Methyl 2-(4-nitrophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate
SpectraBase Compound ID 7cBFsxi7JBQ
InChI InChI=1S/C13H12F3NO5S/c1-21-11(18)12(13(14,15)16)10(22-6-7-23-12)8-2-4-9(5-3-8)17(19)20/h2-5,10H,6-7H2,1H3
InChIKey JFVLEAVWTZLFPJ-UHFFFAOYSA-N
Mol Weight 351.3 g/mol
Molecular Formula C13H12F3NO5S
Exact Mass 351.038828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFdUy8cVzF3
Name Methyl 2-(4-nitrophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3NO5S
InChI InChI=1S/C13H12F3NO5S/c1-21-11(18)12(13(14,15)16)10(22-6-7-23-12)8-2-4-9(5-3-8)17(19)20/h2-5,10H,6-7H2,1H3
InChIKey JFVLEAVWTZLFPJ-UHFFFAOYSA-N
Molecular Weight 351.296 g/mol
SMILES C1(C(F)(F)F)(C(c2ccc(N(=O)=O)cc2)OCCS1)C(=O)OC
SPLASH splash10-0udi-0190000000-e06c2decc032a1f7badc
Source of Spectrum F-62-831-3
Wiley ID 1631993