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(4,5-Trans)-3-[(4-chloro-2,3,5,6-tetrafluorophenylamino)phenylmethyl]-5-methyleneheptane-2,6-dione
SpectraBase Compound ID 3NpJ9C1I3Xa
InChI InChI=1S/C21H18ClF4NO2/c1-10(11(2)28)9-14(12(3)29)20(13-7-5-4-6-8-13)27-21-18(25)16(23)15(22)17(24)19(21)26/h4-8,14,20,27H,1,9H2,2-3H3/t14-,20+/m0/s1
InChIKey YAMQNROAXSCBRE-VBKZILBWSA-N
Mol Weight 427.83 g/mol
Molecular Formula C21H18ClF4NO2
Exact Mass 427.096219 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXokbKRzR5l
Name (4,5-trans)-3-[(4-Chloro-2,3,5,6-tetrafluorophenylamino)phenylmethyl]-5-methyleneheptane-2,6-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClF4NO2
InChI InChI=1S/C21H18ClF4NO2/c1-10(11(2)28)9-14(12(3)29)20(13-7-5-4-6-8-13)27-21-18(25)16(23)15(22)17(24)19(21)26/h4-8,14,20,27H,1,9H2,2-3H3/t14-,20+/m0/s1
InChIKey YAMQNROAXSCBRE-VBKZILBWSA-N
Molecular Weight 427.827 g/mol
SMILES N(c1c(c(F)c(c(c1F)F)Cl)F)[C@@]([C@@](CC(C(=O)C)=C)(C(=O)C)[H])(c1ccccc1)[H]
SPLASH splash10-000l-4090000000-517cf3b684fab433178b
Source of Spectrum KC-61-3848-3
Wiley ID 1628656
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