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(2S,6R)-6-(Carboxymethyl)-2-hydroxy-4,4-dimethyl-2=phenylmorpholium chloride monohydrate

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(2S,6R)-6-(Carboxymethyl)-2-hydroxy-4,4-dimethyl-2=phenylmorpholium chloride monohydrate
SpectraBase Compound ID 4ToCm98KFaD
InChI InChI=1S/C14H19NO4/c1-15(2)9-12(8-13(16)17)19-14(18,10-15)11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3/p+1/t12-,14-/m1/s1
InChIKey SRRNTIAGMVCISC-TZMCWYRMSA-O
Mol Weight 266.32 g/mol
Molecular Formula C14H20NO4
Exact Mass 266.139233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPTnus7b7O1
Name (2S,6R)-6-(Carboxymethyl)-2-hydroxy-4,4-dimethyl-2=phenylmorpholium chloride monohydrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.139233124 u
Formula C14H20NO4
InChI InChI=1S/C14H19NO4/c1-15(2)9-12(8-13(16)17)19-14(18,10-15)11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3/p+1/t12-,14-/m1/s1
InChIKey SRRNTIAGMVCISC-TZMCWYRMSA-O
Molecular Weight 266.317 g/mol
SMILES [C@@]1(O[C@](CC(=O)O)(C[N+](C1)(C)C)[H])(C1=CC=CC=C1)O