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Benzene, 1,1'-[1,1-diethyl-2-methyl-2-(4-nitrophenyl)-1,2-ethanediyl]bis[4-(trifluoromethyl)-
SpectraBase Compound ID AXcXsCOP7a2
InChI InChI=1S/C27H25F6NO2/c1-4-25(5-2,20-8-12-22(13-9-20)27(31,32)33)24(3,19-14-16-23(17-15-19)34(35)36)18-6-10-21(11-7-18)26(28,29)30/h6-17H,4-5H2,1-3H3
InChIKey SHOJNIUVXSLPHV-UHFFFAOYSA-N
Mol Weight 509.49 g/mol
Molecular Formula C27H25F6NO2
Exact Mass 509.178948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wIHsQ0rB8l
Name Benzene, 1,1'-[1,1-diethyl-2-methyl-2-(4-nitrophenyl)-1,2-ethanediyl]bis[4-(trifluoromethyl)-
CAS Registry Number 128270-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25F6NO2
InChI InChI=1S/C27H25F6NO2/c1-4-25(5-2,20-8-12-22(13-9-20)27(31,32)33)24(3,19-14-16-23(17-15-19)34(35)36)18-6-10-21(11-7-18)26(28,29)30/h6-17H,4-5H2,1-3H3
InChIKey SHOJNIUVXSLPHV-UHFFFAOYSA-N
Molecular Weight 509.492 g/mol
SMILES c1(N(=O)=O)ccc(C(C(c2ccc(C(F)(F)F)cc2)(CC)CC)(c2ccc(C(F)(F)F)cc2)C)cc1
SPLASH splash10-06gi-0910000000-138d7fcdad02ea54e6ff
Source of Spectrum J-55-4558-3
Synonyms 1-{2-ethyl-1-methyl-1,2-bis[4-(trifluoromethyl)phenyl]butyl}-4-nitrobenzene 2-(4'-Nitrophenyl)-3-ethyl-2,3-bis-[4''-(trifluoromethyl)-phenyl]pentane
Wiley ID 1400359