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Ethyl 2-hydroxy-3-nitro-4-(3-trifluoromethylphenyl)but-3(E)-enoate
SpectraBase Compound ID 9lXTvL8qiNm
InChI InChI=1S/C13H12F3NO5/c1-2-22-12(19)11(18)10(17(20)21)7-8-4-3-5-9(6-8)13(14,15)16/h3-7,11,18H,2H2,1H3/b10-7+
InChIKey IFQBPUBDGLDFPR-JXMROGBWSA-N
Mol Weight 319.24 g/mol
Molecular Formula C13H12F3NO5
Exact Mass 319.066757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Euxrv5JGrpj
Name Ethyl 2-hydroxy-3-nitro-4-(3-trifluoromethylphenyl)but-3(E)-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3NO5
InChI InChI=1S/C13H12F3NO5/c1-2-22-12(19)11(18)10(17(20)21)7-8-4-3-5-9(6-8)13(14,15)16/h3-7,11,18H,2H2,1H3/b10-7+
InChIKey IFQBPUBDGLDFPR-JXMROGBWSA-N
Molecular Weight 319.236 g/mol
SMILES OC(\C(N(=O)=O)=C/c1cc(C(F)(F)F)ccc1)C(=O)OCC
SPLASH splash10-001i-0983000000-aacdd58cc22eea1f48e0
Source of Spectrum F-66-9877-3b
Wiley ID 1685218