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

*Links on SpectraBase are not permalinks.

5-(1-Benzyl-2-hexahydroazepinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

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

5-(1-Benzyl-2-hexahydroazepinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID 1dpNDxEKpXp
InChI InChI=1S/C19H23NO4/c1-19(2)23-17(21)16(18(22)24-19)15-11-7-4-8-12-20(15)13-14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKey KPOJEUIMAODMDE-UHFFFAOYSA-N
Mol Weight 329.4 g/mol
Molecular Formula C19H23NO4
Exact Mass 329.162708 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 HV8HzEEN5EN
Name 5-(1-Benzyl-2-hexahydroazepinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.162708221 u
Formula C19H23NO4
InChI InChI=1S/C19H23NO4/c1-19(2)23-17(21)16(18(22)24-19)15-11-7-4-8-12-20(15)13-14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKey KPOJEUIMAODMDE-UHFFFAOYSA-N
Molecular Weight 329.396 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)=C1N(CC=2C=CC=CC2)CCCCC1