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(1,1,1-trichloro-2-methylpropan-2-yl) (2R,3R)-2,3-diphenylaziridine-1-carboxylate

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(1,1,1-trichloro-2-methylpropan-2-yl) (2R,3R)-2,3-diphenylaziridine-1-carboxylate
SpectraBase Compound ID 6DYWsI2XlNI
InChI InChI=1S/C19H18Cl3NO2/c1-18(2,19(20,21)22)25-17(24)23-15(13-9-5-3-6-10-13)16(23)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m1/s1
InChIKey VHSHPJWPQXLZRE-HZPDHXFCSA-N
Mol Weight 398.72 g/mol
Molecular Formula C19H18Cl3NO2
Exact Mass 397.040312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJrxYYfcq4P
Name (1,1,1-Trichloro-2-methylpropan-2-yl) (2R,3R)-2,3-diphenylaziridine-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.040311922 u
Formula C19H18Cl3NO2
InChI InChI=1S/C19H18Cl3NO2/c1-18(2,19(20,21)22)25-17(24)23-15(13-9-5-3-6-10-13)16(23)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m1/s1
InChIKey VHSHPJWPQXLZRE-HZPDHXFCSA-N
Molecular Weight 398.717 g/mol
SMILES [C@]1(N([C@@]1(C1=CC=CC=C1)[H])C(OC(C(Cl)(Cl)Cl)(C)C)=O)(C1=CC=CC=C1)[H]