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

*Links on SpectraBase are not permalinks.

Dibenzyl (1R,2R,1'S)-2-methyl-1-(1'-phenylethylamino)cyclopropanephosphonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Dibenzyl (1R,2R,1'S)-2-methyl-1-(1'-phenylethylamino)cyclopropanephosphonate
SpectraBase Compound ID 35hJQbXDVNf
InChI InChI=1S/C26H30NO3P/c1-21-18-26(21,27-22(2)25-16-10-5-11-17-25)31(28,29-19-23-12-6-3-7-13-23)30-20-24-14-8-4-9-15-24/h3-17,21-22,27H,18-20H2,1-2H3/t21-,22+,26-/m1/s1
InChIKey NCVDNZGEKDKWFF-TVZXLZGTSA-N
Mol Weight 435.5 g/mol
Molecular Formula C26H30NO3P
Exact Mass 435.196331 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 2BXFEGNHKjo
Name Dibenzyl (1R,2R,1'S)-2-methyl-1-(1'-phenylethylamino)cyclopropanephosphonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.196330825 u
Formula C26H30NO3P
InChI InChI=1S/C26H30NO3P/c1-21-18-26(21,27-22(2)25-16-10-5-11-17-25)31(28,29-19-23-12-6-3-7-13-23)30-20-24-14-8-4-9-15-24/h3-17,21-22,27H,18-20H2,1-2H3/t21-,22+,26-/m1/s1
InChIKey NCVDNZGEKDKWFF-TVZXLZGTSA-N
Molecular Weight 435.504 g/mol
SMILES [C@]1(P(OCC=2C=CC=CC2)(OCC=2C=CC=CC2)=O)(C[C@]1(C)[H])N[C@](C1=CC=CC=C1)(C)[H]