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

*Links on SpectraBase are not permalinks.

N-(o-Nitrophenylthio)-L-valine dicyclohexylamine salt

View entire compound with spectra: 1 NMR

N-(o-Nitrophenylthio)-L-valine dicyclohexylamine salt
SpectraBase Compound ID AcqmyALUSEo
InChI InChI=1S/C12H23N.C11H14N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)10(11(14)15)12-18-9-6-4-3-5-8(9)13(16)17/h11-13H,1-10H2;3-7,10,12H,1-2H3,(H,14,15)/t;10-/m.0/s1
InChIKey PIXHCLWIWCGYKF-CICJTZRQSA-N
Mol Weight 451.63 g/mol
Molecular Formula C23H37N3O4S
Exact Mass 451.250478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 2pQvbOuBgyH
Name N-(o-Nitrophenylthio)-L-valine dicyclohexylamine salt
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.250477853 u
Formula C23H37N3O4S
InChI InChI=1S/C12H23N.C11H14N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)10(11(14)15)12-18-9-6-4-3-5-8(9)13(16)17/h11-13H,1-10H2;3-7,10,12H,1-2H3,(H,14,15)/t;10-/m.0/s1
InChIKey PIXHCLWIWCGYKF-CICJTZRQSA-N
SMILES OC([C@](NSC1=C(C=CC=C1)[N+](=O)[O-])([H])C(C)C)=O.N(C1CCCCC1)C1CCCCC1