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

*Links on SpectraBase are not permalinks.

2-(Allyl-benzyl-amino)-malonic acid diisopropyl ester

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

2-(Allyl-benzyl-amino)-malonic acid diisopropyl ester
SpectraBase Compound ID E7WCgdAMflR
InChI InChI=1S/C20H29NO4/c1-6-12-21(14-17-10-8-7-9-11-17)18(20(23)25-16(4)5)13-19(22)24-15(2)3/h6-11,15-16,18H,1,12-14H2,2-5H3/t18-/m0/s1
InChIKey UMEHWLZHNUAESW-SFHVURJKSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 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 FXa488Cvvkd
Name 2-(Allyl-benzyl-amino)-malonic acid diisopropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.209658414 u
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-6-12-21(14-17-10-8-7-9-11-17)18(20(23)25-16(4)5)13-19(22)24-15(2)3/h6-11,15-16,18H,1,12-14H2,2-5H3/t18-/m0/s1
InChIKey UMEHWLZHNUAESW-SFHVURJKSA-N
Molecular Weight 347.455 g/mol
SMILES C([C@](CC(=O)OC(C)C)(N(CC1=CC=CC=C1)CC=C)[H])(OC(C)C)=O