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2-[[(1S,2S)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-hydroxycyclopentyl]-(phenylmethyl)amino]acetonitrile
SpectraBase Compound ID K9mpgrkfkmt
InChI InChI=1S/C23H24N2O3/c24-13-14-25(16-19-5-2-1-3-6-19)22-7-4-11-23(22,26)12-10-18-8-9-20-21(15-18)28-17-27-20/h1-3,5-6,8-10,12,15,22,26H,4,7,11,14,16-17H2/b12-10+/t22-,23-/m0/s1
InChIKey KGTXNTXLSUGFGP-XPHCTPJTSA-N
Mol Weight 376.46 g/mol
Molecular Formula C23H24N2O3
Exact Mass 376.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KvBQvu2j7T
Name 2-[[(1S,2S)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-hydroxycyclopentyl]-(phenylmethyl)amino]acetonitrile
Alternate Name(s) 2-[[(1S,2S)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-hydroxycyclopentyl]-benzylamino]acetonitrile 2-[[(1S,2S)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-oxidanyl-cyclopentyl]-(phenylmethyl)amino]ethanenitrile 2-[[(1S,2S)-2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-2-hydroxy-cyclopentyl]-benzyl-amino]acetonitrile
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Formula C23H24N2O3
InChI InChI=1S/C23H24N2O3/c24-13-14-25(16-19-5-2-1-3-6-19)22-7-4-11-23(22,26)12-10-18-8-9-20-21(15-18)28-17-27-20/h1-3,5-6,8-10,12,15,22,26H,4,7,11,14,16-17H2/b12-10+/t22-,23-/m0/s1
InChIKey KGTXNTXLSUGFGP-XPHCTPJTSA-N
Molecular Weight 376.456 g/mol
SMILES O[C@]1([C@@](N(Cc2ccccc2)CC#N)(CCC1)[H])\C=C\c1cc2OCOc2cc1
SPLASH splash10-0006-9024000000-255d433cbe376005843e
Source of Spectrum J-58-4668-9
Wiley ID 1357936