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1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-trifluoromethylbenzyl)-5,5-methyl-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester
SpectraBase Compound ID B0Mgz661mcS
InChI InChI=1S/C27H30F3NO5/c1-6-36-25(33)23-20(15-18-8-7-9-19(14-18)27(28,29)30)26(2,3)31(24(23)32)13-12-17-10-11-21(34-4)22(16-17)35-5/h7-11,14,16H,6,12-13,15H2,1-5H3
InChIKey UZYNOUAHFKFFLU-UHFFFAOYSA-N
Mol Weight 505.53 g/mol
Molecular Formula C27H30F3NO5
Exact Mass 505.207608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LMG33jiKbS
Name 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-trifluoromethylbenzyl)-5,5-methyl-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-4-[3-(trifluoromethyl)benzyl]-2,5-dihydro-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30F3NO5
InChI InChI=1S/C27H30F3NO5/c1-6-36-25(33)23-20(15-18-8-7-9-19(14-18)27(28,29)30)26(2,3)31(24(23)32)13-12-17-10-11-21(34-4)22(16-17)35-5/h7-11,14,16H,6,12-13,15H2,1-5H3
InChIKey UZYNOUAHFKFFLU-UHFFFAOYSA-N
Molecular Weight 505.534 g/mol
SMILES C=1(C(N(CCc2cc(OC)c(cc2)OC)C(C1Cc1cc(C(F)(F)F)ccc1)(C)C)=O)C(=O)OCC
SPLASH splash10-053r-0098100000-06d6c6de09c99491c3bd
Source of Spectrum F4-0-2029-5
Wiley ID 1619923