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HEMIBENZOYLCARNITINIUM-(HBC);(2S,6R)-6-(CARBOXYMETHYL)-2-HYDROXY-4,4-DIMETHYL-2-PHENYLMORPHOLINUM-CHLORIDE
SpectraBase Compound ID CbNbXT20YXh
InChI InChI=1S/C14H19NO4.ClH/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;1H/t12-,14-;/m1./s1
InChIKey SZVPHTRVPOHNPP-QMDUSEKHSA-N
Mol Weight 301.77 g/mol
Molecular Formula C14H20ClNO4
Exact Mass 301.108086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJhnd5nRJKS
Name HEMIBENZOYLCARNITINIUM-(HBC);(2S,6R)-6-(CARBOXYMETHYL)-2-HYDROXY-4,4-DIMETHYL-2-PHENYLMORPHOLINUM-CHLORIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20ClNO4
InChI InChI=1S/C14H19NO4.ClH/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;1H/t12-,14-;/m1./s1
InChIKey SZVPHTRVPOHNPP-QMDUSEKHSA-N
Literature Reference Author R.D.GANDOUR,N.L.BLACKWELL,W.J.COLUCCI,C.CHUNG,L.L.BIEBER,R.R .RAMSAY,E.P.BRASS,F.
Literature Reference Citation J.ORG.CHEM.,57,3426(1992)
Literature Reference DOI 10.1021/jo00038a035
Molecular Weight 301.770 g/mol
Solvent DMSO-D6:C6D6=1:1
Source File Reference UWCS3739