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(3S,5R,7S)-3-Acetoxy-5-(benzyloxycarbonyl)amino)-7-(phenylseleno)cyclohept-1-ene
SpectraBase Compound ID 87FJzeZyHQA
InChI InChI=1S/C23H25NO4Se/c1-17(25)28-20-12-13-22(29-21-10-6-3-7-11-21)15-19(14-20)24-23(26)27-16-18-8-4-2-5-9-18/h2-13,19-20,22H,14-16H2,1H3,(H,24,26)/t19-,20-,22-/m1/s1
InChIKey FZRMRHSMNWPQDI-KCZVDYSFSA-N
Mol Weight 458.43 g/mol
Molecular Formula C23H25NO4Se
Exact Mass 459.09488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LL0EHBGwmcI
Name (3S,5R,7S)-3-Acetoxy-5-(benzyloxycarbonyl)amino)-7-(phenylseleno)cyclohept-1-ene
Alternate Name(s) 6-{[(benzyloxy)carbonyl]amino}-4-(phenylselanyl)-2-cyclohepten-1-yl acetate Acetic acid [(1S,4S,6R)-6-(phenylmethoxycarbonylamino)-4-(phenylseleno)-1-cyclohept-2-enyl] ester [(1S,4S,6R)-6-(phenylmethoxycarbonylamino)-4-phenylselanylcyclohept-2-en-1-yl] acetate [(1S,4S,6R)-6-(benzyloxycarbonylamino)-4-phenylselanyl-cyclohept-2-en-1-yl] acetate [(1S,4S,6R)-6-(phenylmethoxycarbonylamino)-4-phenylselanyl-cyclohept-2-en-1-yl] ethanoate
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Formula C23H25NO4Se
InChI InChI=1S/C23H25NO4Se/c1-17(25)28-20-12-13-22(29-21-10-6-3-7-11-21)15-19(14-20)24-23(26)27-16-18-8-4-2-5-9-18/h2-13,19-20,22H,14-16H2,1H3,(H,24,26)/t19-,20-,22-/m1/s1
InChIKey FZRMRHSMNWPQDI-KCZVDYSFSA-N
Molecular Weight 458.428 g/mol
SMILES N([C@]1(C[C@@](C=C[C@](C1)(OC(=O)C)[H])([Se]c1ccccc1)[H])[H])C(=O)OCc1ccccc1
SPLASH splash10-0006-9200000000-d74092e689a0ef2e9f8d
Source of Spectrum J-60-621-28
Wiley ID 1390193