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Benzenepropanoic acid, .beta.-[[(4-bromophenyl)imino]methyl]-.beta.-hydroxy-.alpha.-methyl-, methyl ester, (R*,R*)-(.+-.)-
SpectraBase Compound ID 61WquRnZwgt
InChI InChI=1S/C18H18BrNO3/c1-13(17(21)23-2)18(22,14-6-4-3-5-7-14)12-20-16-10-8-15(19)9-11-16/h3-13,22H,1-2H3/b20-12+/t13-,18+/m0/s1
InChIKey KMVPGUNMZXBWOL-GHWXOYLCSA-N
Mol Weight 376.25 g/mol
Molecular Formula C18H18BrNO3
Exact Mass 375.047006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzLtiGn7JBG
Name Benzenepropanoic acid, .beta.-[[(4-bromophenyl)imino]methyl]-.beta.-hydroxy-.alpha.-methyl-, methyl ester, (R*,R*)-(.+-.)-
CAS Registry Number 131856-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrNO3
InChI InChI=1S/C18H18BrNO3/c1-13(17(21)23-2)18(22,14-6-4-3-5-7-14)12-20-16-10-8-15(19)9-11-16/h3-13,22H,1-2H3/b20-12+/t13-,18+/m0/s1
InChIKey KMVPGUNMZXBWOL-GHWXOYLCSA-N
Molecular Weight 376.250 g/mol
SMILES O[C@@]([C@](C(=O)OC)(C)[H])(\C=N\c1ccc(cc1)Br)c1ccccc1
SPLASH splash10-0a4i-4900000000-3d2768d9bfb293243305
Source of Spectrum F-46-6812-5
Synonyms Methyl (2R,3R,4E)-4-[(4-bromophenyl)imino]-3-hydroxy-2-methyl-3-phenylbutanoate Methyl 4-(p-bromophenyl)imino-3-hydroxy-2-methyl-3-phenylbutanoate
Wiley ID 1357126