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4-(Ethoxycarbonyl)-4-benzyl-3-(trifluoromethyl)cyclohex-2-enone
SpectraBase Compound ID 46EIPwgmAkh
InChI InChI=1S/C17H17F3O3/c1-2-23-15(22)16(11-12-6-4-3-5-7-12)9-8-13(21)10-14(16)17(18,19)20/h3-7,10H,2,8-9,11H2,1H3
InChIKey VXLFEVHQKNTCEE-UHFFFAOYSA-N
Mol Weight 326.32 g/mol
Molecular Formula C17H17F3O3
Exact Mass 326.112979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUpDOqZLN9E
Name 4-(Ethoxycarbonyl)-4-benzyl-3-(trifluoromethyl)cyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F3O3
InChI InChI=1S/C17H17F3O3/c1-2-23-15(22)16(11-12-6-4-3-5-7-12)9-8-13(21)10-14(16)17(18,19)20/h3-7,10H,2,8-9,11H2,1H3
InChIKey VXLFEVHQKNTCEE-UHFFFAOYSA-N
Molecular Weight 326.315 g/mol
SMILES C=1(C(C(=O)OCC)(CCC(C1)=O)Cc1ccccc1)C(F)(F)F
SPLASH splash10-0006-9000000000-474649888bc2618c21b7
Source of Spectrum SK-22-578-1
Synonyms Ethyl 1-benzyl-4-oxo-2-(trifluoromethyl)-2-cyclohexene-1-carboxylate
Wiley ID 851987