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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uh3NaQQgez
Name (1,1,1-trichloro-2-methylpropan-2-yl) (2R,3R)-2,3-diphenylaziridine-1-carboxylate
Alternate Name(s) (2,2,2-trichloro-1,1-dimethyl-ethyl) (2R,3R)-2,3-diphenylaziridine-1-carboxylate (2R,3R)-2,3-diphenyl-1-aziridinecarboxylic acid (1,1,1-trichloro-2-methylpropan-2-yl) ester (2R,3R)-2,3-diphenylethylenimine-1-carboxylic acid (2,2,2-trichloro-1,1-dimethyl-ethyl) ester
Comments Less than 3 mono-isotopic peaks
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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(c1ccccc1)[H])C(OC(C(Cl)(Cl)Cl)(C)C)=O)(c1ccccc1)[H]
SPLASH splash10-0007-0906200000-723b299a1c58dccbf997
Source of Spectrum K-2001-1642-0
Wiley ID 1579262