For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

phenylalanine, N-[[4-(2-benzothiazolyl)-1-piperidinyl]carbonyl]-, methyl ester

View entire compound with spectra: 2 NMR

phenylalanine, N-[[4-(2-benzothiazolyl)-1-piperidinyl]carbonyl]-, methyl ester
SpectraBase Compound ID 1oL2ZzIrp1E
InChI InChI=1S/C23H25N3O3S/c1-29-22(27)19(15-16-7-3-2-4-8-16)25-23(28)26-13-11-17(12-14-26)21-24-18-9-5-6-10-20(18)30-21/h2-10,17,19H,11-15H2,1H3,(H,25,28)
InChIKey PPVWITNIGUJNPD-UHFFFAOYSA-N
Mol Weight 423.53 g/mol
Molecular Formula C23H25N3O3S
Exact Mass 423.161663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID L4LoMVBAmWu
Name Phenylalanine, N-[[4-(2-benzothiazolyl)-1-piperidinyl]carbonyl]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.161662848 u
Formula C23H25N3O3S
InChI InChI=1S/C23H25N3O3S/c1-29-22(27)19(15-16-7-3-2-4-8-16)25-23(28)26-13-11-17(12-14-26)21-24-18-9-5-6-10-20(18)30-21/h2-10,17,19H,11-15H2,1H3,(H,25,28)
InChIKey PPVWITNIGUJNPD-UHFFFAOYSA-N
Molecular Weight 423.531 g/mol
SMILES N(C(N1CCC(C2=NC3=CC=CC=C3S2)CC1)=O)C(C(=O)OC)CC1=CC=CC=C1