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L-3-(p-tert-BUTOXYPHENYL)-N-CARBOXYALANINE, N-BENZYL ESTER, DICYCLOHEXYLAMINE SALT
SpectraBase Compound ID B15moEeY5a9
InChI InChI=1S/C21H25NO5.C12H23N/c1-21(2,3)27-17-11-9-15(10-12-17)13-18(19(23)24)22-20(25)26-14-16-7-5-4-6-8-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24);11-13H,1-10H2/t18-;/m0./s1
InChIKey FDNJRKLIHBJXIR-FERBBOLQSA-N
Mol Weight 552.76 g/mol
Molecular Formula C33H48N2O5
Exact Mass 552.356323 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CxlK0kfDf05
Name L-3-(p-tert-BUTOXYPHENYL)-N-CARBOXYALANINE, N-BENZYL ESTER,COMPOUND WITH DICYCLOHEXYLAMINE (1:1)
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 16879-90-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5 C12H23N
InChI InChI=1S/C21H25NO5.C12H23N/c1-21(2,3)27-17-11-9-15(10-12-17)13-18(19(23)24)22-20(25)26-14-16-7-5-4-6-8-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24);11-13H,1-10H2/t18-;/m0./s1
InChIKey FDNJRKLIHBJXIR-FERBBOLQSA-N
Melting Point 158-160C
Molecular Weight 552.76
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20