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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9lPQWmgbwSl
Name L-3-(p-tert-BUTOXYPHENYL)-N-CARBOXYALANINE, N-BENZYL ESTER, DICYCLOHEXYLAMINE SALT
Source of Sample E. Schroeder, Schering AG, Berlin, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H48N2O5
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
Literature Reference Abstract-Chemical Abstracts= 60, 8126(1964)
Melting Point 154-154.5C
Molecular Weight 552.755981
Optical Properties Optical Rotation= (13C) +24.2 DEG (c=0.5, DMF)
Synonyms ALANINE, 3-/P-TERT-BUTOXYPHENYL/- N-CARBOXY-, L-, N-BENZYL ESTER, DI- CYCLOHEXYLAMINE SALT
Technique KBr WAFER