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(4S,8R,11S)-(-)-11-Benzyl-10,10-diphenyl-9-oxa-1-azatricyclo[6.3.0.0(4,8)]undecan-2-one
SpectraBase Compound ID JYi3W9TGMIv
InChI InChI=1S/C28H27NO2/c30-26-20-24-17-10-18-27(24)29(26)25(19-21-11-4-1-5-12-21)28(31-27,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24-25H,10,17-20H2/t24-,25-,27+/m0/s1
InChIKey TXNZCWCEHGMJFR-OHSXHVKISA-N
Mol Weight 409.53 g/mol
Molecular Formula C28H27NO2
Exact Mass 409.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWoU6CbgnRM
Name (4S,8R,11S)-(-)-11-Benzyl-10,10-diphenyl-9-oxa-1-azatricyclo[6.3.0.0(4,8)]undecan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C28H27NO2
InChI InChI=1S/C28H27NO2/c30-26-20-24-17-10-18-27(24)29(26)25(19-21-11-4-1-5-12-21)28(31-27,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24-25H,10,17-20H2/t24-,25-,27+/m0/s1
InChIKey TXNZCWCEHGMJFR-OHSXHVKISA-N
Molecular Weight 409.529 g/mol
SMILES [C@]123N([C@](C(O3)(c3ccccc3)c3ccccc3)(Cc3ccccc3)[H])C(C[C@@]2(CCC1)[H])=O
SPLASH splash10-004i-0090000000-35d2c0557e1603d3ed91
Source of Spectrum KC-0-2362-14
Synonyms (3S,6aS,9aR)-3-benzyl-2,2-diphenylhexahydrocyclopenta[2,3]pyrrolo[2,1-b][1,3]oxazol-5(6H)-one
Wiley ID 828881