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(phenylmethyl) N-[(1S)-1-[(2R,3S)-2-(4-nitrophenyl)-4-oxidanylidene-1-(phenylmethyl)azetidin-3-yl]ethyl]carbamate
SpectraBase Compound ID 3tCCyglEPAA
InChI InChI=1S/C26H25N3O5/c1-18(27-26(31)34-17-20-10-6-3-7-11-20)23-24(21-12-14-22(15-13-21)29(32)33)28(25(23)30)16-19-8-4-2-5-9-19/h2-15,18,23-24H,16-17H2,1H3,(H,27,31)/t18-,23-,24-/m0/s1
InChIKey KQVGCYBSUHMPAG-NWVWQQAFSA-N
Mol Weight 459.5 g/mol
Molecular Formula C26H25N3O5
Exact Mass 459.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rDKgM2UFzV
Name (phenylmethyl) N-[(1S)-1-[(2R,3S)-2-(4-nitrophenyl)-4-oxidanylidene-1-(phenylmethyl)azetidin-3-yl]ethyl]carbamate
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Formula C26H25N3O5
InChI InChI=1S/C26H25N3O5/c1-18(27-26(31)34-17-20-10-6-3-7-11-20)23-24(21-12-14-22(15-13-21)29(32)33)28(25(23)30)16-19-8-4-2-5-9-19/h2-15,18,23-24H,16-17H2,1H3,(H,27,31)/t18-,23-,24-/m0/s1
InChIKey KQVGCYBSUHMPAG-NWVWQQAFSA-N
Molecular Weight 459.502 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]([C@]1([C@@](N(C1=O)Cc1ccccc1)(c1ccc(N(=O)=O)cc1)[H])[H])(C)[H]
SPLASH splash10-0006-9011100000-2739dda4d4b67a265766
Source of Spectrum K-2001-2571-20
Synonyms benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-nitrophenyl)-4-oxo-azetidin-3-yl]ethyl]carbamate N-[(1S)-1-[(2R,3S)-2-(4-nitrophenyl)-4-oxo-1-(phenylmethyl)-3-azetidinyl]ethyl]carbamic acid (phenylmethyl) ester N-[(1S)-1-[(3S,4R)-1-benzyl-2-keto-4-(4-nitrophenyl)azetidin-3-yl]ethyl]carbamic acid benzyl ester
Wiley ID 1579721