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2,4-Pentanedione, 3-[3,4-dihydro-3-nitro-2-(trifluoromethyl)-2H-1-benzopyran-4-yl]-
SpectraBase Compound ID 7Ei9PsgaPW1
InChI InChI=1S/C15H14F3NO5/c1-7(20)11(8(2)21)12-9-5-3-4-6-10(9)24-14(15(16,17)18)13(12)19(22)23/h3-6,11-14H,1-2H3
InChIKey ZTHMCJVFUBYSDX-UHFFFAOYSA-N
Mol Weight 345.27 g/mol
Molecular Formula C15H14F3NO5
Exact Mass 345.082407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QNztPtAhaQ
Name 2,4-Pentanedione, 3-[3,4-dihydro-3-nitro-2-(trifluoromethyl)-2H-1-benzopyran-4-yl]-
Alternate Name(s) 3-[3-nitro-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14F3NO5
InChI InChI=1S/C15H14F3NO5/c1-7(20)11(8(2)21)12-9-5-3-4-6-10(9)24-14(15(16,17)18)13(12)19(22)23/h3-6,11-14H,1-2H3
InChIKey ZTHMCJVFUBYSDX-UHFFFAOYSA-N
Molecular Weight 345.274 g/mol
SMILES C1(C(Oc2c(C1C(C(=O)C)C(=O)C)cccc2)C(F)(F)F)N(=O)=O
SPLASH splash10-002p-5590000000-1ac89624bbd9a4fb600f
Source of Spectrum IY-2-5179-0
Wiley ID 1659773