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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yfHf3atyV6
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
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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)(Cc2ccc(C(C)(C)C)cc2)C)CCC1)(COC)[H]
SPLASH splash10-01p9-4490000000-ea13c8c4e6e76ac5b777
Source of Spectrum F4-0-3522-3
Synonyms (2S)-N-[(4S,5E,6S)-4-[(4-tert-butylphenyl)methyl]-6-ethyl-2,2,4,6-tetramethyl-1,3-dioxan-5-ylidene]-2-(methoxymethyl)pyrrolidin-1-amine
Wiley ID 1619208