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(E)-(3S,4S)-1-Benzyl-4-benzyloxymethyl-3-chloro-1,3,4,7,8,9-hexahydro-azonin-2-one
SpectraBase Compound ID J6wDJSzlRwX
InChI InChI=1S/C23H26ClNO2/c24-22-21(18-27-17-20-12-6-2-7-13-20)14-8-3-9-15-25(23(22)26)16-19-10-4-1-5-11-19/h1-2,4-8,10-14,21-22H,3,9,15-18H2/b14-8+/t21-,22-/m0/s1
InChIKey XGPIGLSTEIEBMU-FVPDXABQSA-N
Mol Weight 383.92 g/mol
Molecular Formula C23H26ClNO2
Exact Mass 383.165207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLCIOBw1lRQ
Name (E)-(3S,4S)-1-Benzyl-4-benzyloxymethyl-3-chloro-1,3,4,7,8,9-hexahydro-azonin-2-one
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Formula C23H26ClNO2
InChI InChI=1S/C23H26ClNO2/c24-22-21(18-27-17-20-12-6-2-7-13-20)14-8-3-9-15-25(23(22)26)16-19-10-4-1-5-11-19/h1-2,4-8,10-14,21-22H,3,9,15-18H2/b14-8+/t21-,22-/m0/s1
InChIKey XGPIGLSTEIEBMU-FVPDXABQSA-N
Molecular Weight 383.919 g/mol
SMILES C1(N(Cc2ccccc2)CCC\C=C\[C@]([C@@]1(Cl)[H])(COCc1ccccc1)[H])=O
SPLASH splash10-0006-9610000000-8fa2713cfdb0c4080a6a
Source of Spectrum QE-2-899-16
Synonyms (3S,4S)-1-Benzyl-4-benzyloxymethyl-3-chloro-1,3,4,7,8,9-hexahydro-2-azoninone (3S,4S)-1-Benzyl-4-benzyloxymethyl-3-chloro-2(6H)-azoninone (3S,4S)-1-benzyl-4-[(benzyloxy)methyl]-3-chloro-1,3,4,7,8,9-hexahydro-2H-azonin-2-one
Wiley ID 842612