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

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

(E/Z,4S,6S)-4-(4-Tert-butylbenzyl)-6-ethyl-N-[(S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine
SpectraBase Compound ID 2rAgBui1ES7
InChI InChI=1S/C27H44N2O3/c1-10-26(7)23(28-29-17-11-12-22(29)19-30-9)27(8,32-25(5,6)31-26)18-20-13-15-21(16-14-20)24(2,3)4/h13-16,22H,10-12,17-19H2,1-9H3/b28-23+/t22-,26-,27-/m0/s1
InChIKey KIBDTLPZLMQHAR-HBLPLASLSA-N
Mol Weight 444.7 g/mol
Molecular Formula C27H44N2O3
Exact Mass 444.335193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID a24ziyiR4U
Name (E/Z,4S,6S)-4-(4-Tert-butylbenzyl)-6-ethyl-N-[(S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-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 444.335193282 u
Formula C27H44N2O3
InChI InChI=1S/C27H44N2O3/c1-10-26(7)23(28-29-17-11-12-22(29)19-30-9)27(8,32-25(5,6)31-26)18-20-13-15-21(16-14-20)24(2,3)4/h13-16,22H,10-12,17-19H2,1-9H3/b28-23+/t22-,26-,27-/m0/s1
InChIKey KIBDTLPZLMQHAR-HBLPLASLSA-N
Molecular Weight 444.660 g/mol
SMILES [C@@]1(N(\N=C\2[C@@](OC(O[C@]2(CC)C)(C)C)(CC2=CC=C(C(C)(C)C)C=C2)C)CCC1)(COC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926733