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(3'S,5'S,1''S)-2-{5-[1-(Benzyloxycarbonylamino)-2-phenylethyl]-4,5-dihydro-2-oxo-(3H)-fur-3-yl}eyhanenitrile
SpectraBase Compound ID Eel2PWW3uXM
InChI InChI=1S/C22H22N2O4/c23-12-11-18-14-20(28-21(18)25)19(13-16-7-3-1-4-8-16)24-22(26)27-15-17-9-5-2-6-10-17/h1-10,18-20H,11,13-15H2,(H,24,26)/t18-,19-,20-/m0/s1
InChIKey LTRCRBIIIWMQBM-UFYCRDLUSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjJPen6I6IR
Name (3'S,5'S,1''S)-2-{5-[1-(Benzyloxycarbonylamino)-2-phenylethyl]-4,5-dihydro-2-oxo-(3H)-fur-3-yl}eyhanenitrile
Alternate Name(s) (3'S,5'S,1''S)-2-{5-[1-(Benzyloxycarbonylamino)-2-phenylethylyl]-4,5-dihydro-2-oxo-(3H)-fur-3-yl}ethanenitrile N-[(1S)-1-[(2S,4S)-4-(cyanomethyl)-5-oxo-2-oxolanyl]-2-phenylethyl]carbamic acid (phenylmethyl) ester benzyl N-[(1S)-1-[(2S,4S)-4-(cyanomethyl)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate benzyl N-[(1S)-1-[(2S,4S)-4-(cyanomethyl)-5-oxo-tetrahydrofuran-2-yl]-2-phenyl-ethyl]carbamate (phenylmethyl) N-[(1S)-1-[(2S,4S)-4-(cyanomethyl)-5-oxidanylidene-oxolan-2-yl]-2-phenyl-ethyl]carbamate
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Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c23-12-11-18-14-20(28-21(18)25)19(13-16-7-3-1-4-8-16)24-22(26)27-15-17-9-5-2-6-10-17/h1-10,18-20H,11,13-15H2,(H,24,26)/t18-,19-,20-/m0/s1
InChIKey LTRCRBIIIWMQBM-UFYCRDLUSA-N
Molecular Weight 378.428 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]([C@]1(OC([C@@](CC#N)(C1)[H])=O)[H])(Cc1ccccc1)[H]
SPLASH splash10-0006-9010000000-1a3b66eb53ae9c9178ff
Source of Spectrum K1-2002-909-16
Wiley ID 1522223