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Ethyl (3R*,4R*,5R*)-5-(2-Bromophenyl)-3-(4-methoxyphenyl)-2-methylisoxazolidine-4-carboxylate

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Ethyl (3R*,4R*,5R*)-5-(2-Bromophenyl)-3-(4-methoxyphenyl)-2-methylisoxazolidine-4-carboxylate
SpectraBase Compound ID MKzrTjwP5B
InChI InChI=1S/C20H22BrNO4/c1-4-25-20(23)17-18(13-9-11-14(24-3)12-10-13)22(2)26-19(17)15-7-5-6-8-16(15)21/h5-12,17-19H,4H2,1-3H3/t17-,18+,19+/m1/s1
InChIKey NGCAWMCLSBQSBI-QYZOEREBSA-N
Mol Weight 420.3 g/mol
Molecular Formula C20H22BrNO4
Exact Mass 419.073221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ob5TJjXCQa
Name Ethyl (3R*,4R*,5R*)-5-(2-Bromophenyl)-3-(4-methoxyphenyl)-2-methylisoxazolidine-4-carboxylate
Alternate Name(s) (3R,4R,5R)-ethyl 5-(2-bromophenyl)-3-(4-methoxyphenyl)-2-methylisoxazolidine-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22BrNO4
InChI InChI=1S/C20H22BrNO4/c1-4-25-20(23)17-18(13-9-11-14(24-3)12-10-13)22(2)26-19(17)15-7-5-6-8-16(15)21/h5-12,17-19H,4H2,1-3H3/t17-,18+,19+/m1/s1
InChIKey NGCAWMCLSBQSBI-QYZOEREBSA-N
Molecular Weight 420.303 g/mol
SMILES [C@]1([C@@](ON([C@]1(c1ccc(cc1)OC)[H])C)(c1c(Br)cccc1)[H])(C(=O)OCC)[H]
SPLASH splash10-02t9-0900000000-e02285915e540d339f71
Source of Spectrum U1-2014-7131-34b
Wiley ID 1740986