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(2R,3R)-1-(4-chlorophenyl)-3-(4-methylphenyl)-2-aziridinecarboxylic acid ethyl ester

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(2R,3R)-1-(4-chlorophenyl)-3-(4-methylphenyl)-2-aziridinecarboxylic acid ethyl ester
SpectraBase Compound ID L21VcV5Qg83
InChI InChI=1S/C18H18ClNO2/c1-3-22-18(21)17-16(13-6-4-12(2)5-7-13)20(17)15-10-8-14(19)9-11-15/h4-11,16-17H,3H2,1-2H3/t16-,17-,20?/m1/s1
InChIKey RZQYDEIRHXMEIM-LGJCEAAXSA-N
Mol Weight 315.8 g/mol
Molecular Formula C18H18ClNO2
Exact Mass 315.102607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IpQ0hyxGDwI
Name (2R,3R)-1-(4-Chlorophenyl)-3-(4-methylphenyl)-2-aziridinecarboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.102606522 u
Formula C18H18ClNO2
InChI InChI=1S/C18H18ClNO2/c1-3-22-18(21)17-16(13-6-4-12(2)5-7-13)20(17)15-10-8-14(19)9-11-15/h4-11,16-17H,3H2,1-2H3/t16-,17-,20?/m1/s1
InChIKey RZQYDEIRHXMEIM-LGJCEAAXSA-N
Molecular Weight 315.800 g/mol
SMILES [C@@]1(N([C@@]1(C=1C=CC(=CC1)C)[H])C=1C=CC(=CC1)Cl)(C(=O)OCC)[H]