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N-Benzyl-2-[(1,3-dimethyl-propanedioate)methyl]-2-(trifluoromethyl)pyrrolidine
SpectraBase Compound ID LOsIUiIRqMu
InChI InChI=1S/C18H22F3NO4/c1-25-15(23)14(16(24)26-2)11-17(18(19,20)21)9-6-10-22(17)12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3
InChIKey ZYOORSOZJSHZRQ-UHFFFAOYSA-N
Mol Weight 373.37 g/mol
Molecular Formula C18H22F3NO4
Exact Mass 373.150093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEjo4dfLSEQ
Name N-Benzyl-2-[(1,3-dimethyl-propanedioate)methyl]-2-(trifluoromethyl)pyrrolidine
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.150092677 u
Formula C18H22F3NO4
InChI InChI=1S/C18H22F3NO4/c1-25-15(23)14(16(24)26-2)11-17(18(19,20)21)9-6-10-22(17)12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3
InChIKey ZYOORSOZJSHZRQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 2010S
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502084
Molecular Weight 373.372 g/mol
Quality 65
Reported Formula C18H22F3NO4
SMILES C1CC(N(C1)CC1=CC=CC=C1)(CC(C(OC)=O)C(=O)OC)C(F)(F)F
SPLASH splash10-0006-9012000000-70cf37dcdd039868c0ce
Source of Spectrum QE-21-SM17-8a (DOI: 10.1002/chem.201502084)
Wiley ID 1906936