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(1r,5s,6R,9S,10s,11r,12S,15R)-3-(Benzoylamino)-3-azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,15)]pentadecane-2,4-dione)
SpectraBase Compound ID 16Dm0uXTmgS
InChI InChI=1S/C21H20N2O3/c24-17(10-4-2-1-3-5-10)22-23-18(25)20-11-6-7-12-15(11)16-13(20)8-9-14(16)21(12,20)19(23)26/h1-5,11-16H,6-9H2,(H,22,24)/t11-,12+,13+,14-,15-,16+,20-,21+
InChIKey SCVPFRXKIWCNKS-AOTWNESVSA-N
Mol Weight 348.4 g/mol
Molecular Formula C21H20N2O3
Exact Mass 348.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GMCHbmGt5H
Name (1r,5s,6R,9S,10s,11r,12S,15R)-3-(Benzoylamino)-3-azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,15)]pentadecane-2,4-dione)
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Formula C21H20N2O3
InChI InChI=1S/C21H20N2O3/c24-17(10-4-2-1-3-5-10)22-23-18(25)20-11-6-7-12-15(11)16-13(20)8-9-14(16)21(12,20)19(23)26/h1-5,11-16H,6-9H2,(H,22,24)/t11-,12+,13+,14-,15-,16+,20-,21+
InChIKey SCVPFRXKIWCNKS-AOTWNESVSA-N
Literature Reference DOI 10.1002/cmdc.201000306
Molecular Weight 348.402 g/mol
SMILES N(N1C([C@]23[C@@]4(CC[C@]5([C@@]4([C@]4([C@@]3(CC[C@]4([C@@]25C1=O)[H])[H])[H])[H])[H])[H])=O)C(=O)c1ccccc1
SPLASH splash10-0a4i-1901000000-2fa5129af401d7642878
Source of Spectrum CMC-5-2072/SM8-9e
Wiley ID 1771681