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alpha,beta-trimethylene-N-homoveratryl-glutarimide

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

alpha,beta-trimethylene-N-homoveratryl-glutarimide
SpectraBase Compound ID CCyu28r4uzC
InChI InChI=1S/C18H23NO4/c1-22-15-7-6-12(10-16(15)23-2)8-9-19-17(20)11-13-4-3-5-14(13)18(19)21/h6-7,10,13-14H,3-5,8-9,11H2,1-2H3/t13-,14-/m1/s1
InChIKey XVVMVVVBYGOLAS-ZIAGYGMSSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DDnDDTkX16o
Name alpha,beta-Trimethylene-N-homoveratryl-glutarimide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.162708221 u
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-22-15-7-6-12(10-16(15)23-2)8-9-19-17(20)11-13-4-3-5-14(13)18(19)21/h6-7,10,13-14H,3-5,8-9,11H2,1-2H3/t13-,14-/m1/s1
InChIKey XVVMVVVBYGOLAS-ZIAGYGMSSA-N
Molecular Weight 317.385 g/mol
SMILES C1(=CC(=CC=C1OC)CCN1C(C[C@@]2([C@](C1=O)(CCC2)[H])[H])=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913031