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L-3-(p-Tert-butoxyphenyl)-N-carboxyalanine, N-benzyl ester, dicyclohexylamine salt

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

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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EveSMApjtU6
Name L-3-(p-Tert-butoxyphenyl)-N-carboxyalanine, N-benzyl ester, dicyclohexylamine salt
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.356322649 u
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
Molecular Weight 552.756 g/mol
SMILES N([C@](C([O-])=O)(CC=1C=CC(=CC1)OC(C)(C)C)[H])C(OCC=1C=CC=CC1)=O.[NH2+](C1CCCCC1)C1CCCCC1
Spectrum/Structure Validation Score (Raman) 0.989732