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N-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-N-(2-oxidanyl-2-phenyl-ethyl)ethanamide

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N-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-N-(2-oxidanyl-2-phenyl-ethyl)ethanamide
SpectraBase Compound ID KYG5ltculnS
InChI InChI=1S/C20H19BrN2O4/c1-13(24)22(12-18(25)14-5-3-2-4-6-14)17-11-19(26)23(20(17)27)16-9-7-15(21)8-10-16/h2-10,17-18,25H,11-12H2,1H3
InChIKey SDVHDVJKYTZOBK-UHFFFAOYSA-N
Mol Weight 431.29 g/mol
Molecular Formula C20H19BrN2O4
Exact Mass 430.05282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxL7lDWSRsN
Name N-[1-(4-Bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-N-(2-oxidanyl-2-phenyl-ethyl)ethanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.052820096 u
Formula C20H19BrN2O4
InChI InChI=1S/C20H19BrN2O4/c1-13(24)22(12-18(25)14-5-3-2-4-6-14)17-11-19(26)23(20(17)27)16-9-7-15(21)8-10-16/h2-10,17-18,25H,11-12H2,1H3
InChIKey SDVHDVJKYTZOBK-UHFFFAOYSA-N
Molecular Weight 431.286 g/mol
SMILES C=1C=CC(C(CN(C2C(N(C(C2)=O)C=2C=CC(=CC2)Br)=O)C(=O)C)O)=CC1