(E/Z,4S,6S)-4-Allyl-N-[(S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-6-phenethyl-1,3-dioxan-5-imine

SpectraBase Compound ID	1MkwrGDfGyx
InChI	InChI=1S/C25H38N2O3/c1-7-16-24(4)22(26-27-18-11-14-21(27)19-28-6)25(5,30-23(2,3)29-24)17-15-20-12-9-8-10-13-20/h7-10,12-13,21H,1,11,14-19H2,2-6H3/b26-22-/t21-,24-,25-/m0/s1
InChIKey	LUUNILPABVOYJO-CYHPGHMSSA-N Google Search
Mol Weight	414.6 g/mol
Molecular Formula	C25H38N2O3
Exact Mass	414.288243 g/mol

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SpectraBase Spectrum ID	A2HVuqsCAm
Name	(E/Z,4S,6S)-4-Allyl-N-[(S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-6-phenethyl-1,3-dioxan-5-imine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	414.288243089 u
Formula	C25H38N2O3
InChI	InChI=1S/C25H38N2O3/c1-7-16-24(4)22(26-27-18-11-14-21(27)19-28-6)25(5,30-23(2,3)29-24)17-15-20-12-9-8-10-13-20/h7-10,12-13,21H,1,11,14-19H2,2-6H3/b26-22-/t21-,24-,25-/m0/s1
InChIKey	LUUNILPABVOYJO-CYHPGHMSSA-N
Molecular Weight	414.590 g/mol
SMILES	[C@@]1(N(\N=C/2[C@@](OC(O[C@]2(CC=C)C)(C)C)(CCC=2C=CC=CC2)C)CCC1)(COC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.887522