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(E)-[(4S)-4-(2-benzoxyethyl)-2,2-dimethyl-1,3-dioxan-5-ylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine

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

(E)-[(4S)-4-(2-benzoxyethyl)-2,2-dimethyl-1,3-dioxan-5-ylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine
SpectraBase Compound ID JDRPITd7iCY
InChI InChI=1S/C21H32N2O4/c1-21(2)26-16-19(22-23-12-7-10-18(23)15-24-3)20(27-21)11-13-25-14-17-8-5-4-6-9-17/h4-6,8-9,18,20H,7,10-16H2,1-3H3/b22-19+/t18-,20-/m0/s1
InChIKey CACZJJHBLZUBSL-URPGASNBSA-N
Mol Weight 376.5 g/mol
Molecular Formula C21H32N2O4
Exact Mass 376.236208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XZ2aRn94ra
Name (E)-[(4S)-4-(2-benzoxyethyl)-2,2-dimethyl-1,3-dioxan-5-ylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.236207514 u
Formula C21H32N2O4
InChI InChI=1S/C21H32N2O4/c1-21(2)26-16-19(22-23-12-7-10-18(23)15-24-3)20(27-21)11-13-25-14-17-8-5-4-6-9-17/h4-6,8-9,18,20H,7,10-16H2,1-3H3/b22-19+/t18-,20-/m0/s1
InChIKey CACZJJHBLZUBSL-URPGASNBSA-N
Molecular Weight 376.497 g/mol
SMILES [C@@]1(\C(=N\N2[C@](COC)(CCC2)[H])COC(O1)(C)C)(CCOCC1=CC=CC=C1)[H]