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(1r,5s,6R,9S,10s,11r,12S,15R)-3-[(4-Chlorobenzoyl)amino]-3-azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,15)]pentadeca-7,13-diene-2,4-dione)
SpectraBase Compound ID KWjKSK7L2ux
InChI InChI=1S/C21H15ClN2O3/c22-10-3-1-9(2-4-10)17(25)23-24-18(26)20-11-5-6-12-15(11)16-13(20)7-8-14(16)21(12,20)19(24)27/h1-8,11-16H,(H,23,25)/t11-,12+,13+,14-,15-,16+,20-,21-
InChIKey JCBKUXJZUWFJPB-OZADFPMLSA-N
Mol Weight 378.82 g/mol
Molecular Formula C21H15ClN2O3
Exact Mass 378.07712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSEOSL2ShJ9
Name (1r,5s,6R,9S,10s,11r,12S,15R)-3-[(4-Chlorobenzoyl)amino]-3-azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,15)]pentadeca-7,13-diene-2,4-dione)
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Formula C21H15ClN2O3
InChI InChI=1S/C21H15ClN2O3/c22-10-3-1-9(2-4-10)17(25)23-24-18(26)20-11-5-6-12-15(11)16-13(20)7-8-14(16)21(12,20)19(24)27/h1-8,11-16H,(H,23,25)/t11-,12+,13+,14-,15-,16+,20-,21-
InChIKey JCBKUXJZUWFJPB-OZADFPMLSA-N
Literature Reference DOI 10.1002/cmdc.201000306
Molecular Weight 378.815 g/mol
SMILES N(N1C([C@]23[C@@]4(C=C[C@]5([C@@]4([C@]4([C@@]3(C=C[C@]4([C@]25C1=O)[H])[H])[H])[H])[H])[H])=O)C(=O)c1ccc(cc1)Cl
SPLASH splash10-01p9-0906000000-2c97d1854bac2cc44c27
Source of Spectrum CMC-5-2072/SM4-7d
Wiley ID 1771669