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Pyrrolidine, 2-ethyl-5-heptyl-1-(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropyl)-, [2S-[1(R*),2.alpha.,5.beta.]]-
SpectraBase Compound ID KvYPmPxb2hB
InChI InChI=1S/C23H34F3NO2/c1-4-6-7-8-12-15-20-17-16-19(5-2)27(20)21(28)22(29-3,23(24,25)26)18-13-10-9-11-14-18/h9-11,13-14,19-20H,4-8,12,15-17H2,1-3H3/t19-,20-,22?/m0/s1
InChIKey MTXGCUMMMNKDEF-ZDOMSUIMSA-N
Mol Weight 413.5 g/mol
Molecular Formula C23H34F3NO2
Exact Mass 413.254164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TWsYxLlza7
Name Pyrrolidine, 2-ethyl-5-heptyl-1-(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropyl)-, [2S-[1(R*),2.alpha.,5.beta.]]-
Alternate Name(s) (-)-(5S,2S)-trans-5-Ethyl-2-heptyl-1(n)-((trifluoromethyl)(methyl)(phenyl)methyl)carbonylpyrrolidine (2S,5S)-2-ethyl-5-heptyl-1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)pyrrolidine 1-{[(2S,5S)-2-ethyl-5-heptylpyrrolidinyl]carbonyl}-2,2,2-trifluoro-1-phenylethyl methyl ether
CAS Registry Number 119988-09-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34F3NO2
InChI InChI=1S/C23H34F3NO2/c1-4-6-7-8-12-15-20-17-16-19(5-2)27(20)21(28)22(29-3,23(24,25)26)18-13-10-9-11-14-18/h9-11,13-14,19-20H,4-8,12,15-17H2,1-3H3/t19-,20-,22?/m0/s1
InChIKey MTXGCUMMMNKDEF-ZDOMSUIMSA-N
Molecular Weight 413.525 g/mol
SMILES C(C(C(F)(F)F)(c1ccccc1)OC)(N1[C@](CC[C@@]1(CCCCCCC)[H])(CC)[H])=O
SPLASH splash10-00dr-0491000000-4d19714609ca4fcd916d
Source of Spectrum F-44-2468-12
Wiley ID 1375036