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L-ASPARTIC-ACID-DIBENZYLESTER-PARA-TOLUENESULFONATE

View entire compound with spectra: 3 NMR, and 1 FTIR

L-ASPARTIC-ACID-DIBENZYLESTER-PARA-TOLUENESULFONATE
SpectraBase Compound ID HHxRK3OqUCv
InChI InChI=1S/C18H19NO4.C7H8O3S/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,19H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1
InChIKey HLMUYZYLPUHSNV-NTISSMGPSA-N
Mol Weight 485.55 g/mol
Molecular Formula C25H27NO7S
Exact Mass 485.150823 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EHuJPf3d8i5
Name L-Aspartic acid dibenzyl ester p-toluenesulfonate salt
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 459887
CAS Registry Number 2886-33-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27NO7S
InChI InChI=1S/C18H19NO4.C7H8O3S/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,19H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1
InChIKey HLMUYZYLPUHSNV-NTISSMGPSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (s)-dibenzyl 2-aminosuccinate 4-methylbenzenesulfonate diphenylmethyl (2S)-2-aminobutane-1,4-dioate, 4-methylbenzenesulfonic acid
Wiley ID SIAL_13CNMR_010130