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1,5,9-Triazacyclotridecan-2-one, 5,9-diacetyl-4-phenyl-, (S)-
SpectraBase Compound ID 3I4EFJPImzh
InChI InChI=1S/C20H29N3O3/c1-16(24)22-12-7-6-11-21-20(26)15-19(18-9-4-3-5-10-18)23(17(2)25)14-8-13-22/h3-5,9-10,19H,6-8,11-15H2,1-2H3,(H,21,26)/t19-/m0/s1
InChIKey BEZZZDWDWZBDTH-IBGZPJMESA-N
Mol Weight 359.47 g/mol
Molecular Formula C20H29N3O3
Exact Mass 359.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPs0LelwDpL
Name 1,5,9-Triazacyclotridecan-2-one, 5,9-diacetyl-4-phenyl-, (S)-
CAS Registry Number 64643-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29N3O3
InChI InChI=1S/C20H29N3O3/c1-16(24)22-12-7-6-11-21-20(26)15-19(18-9-4-3-5-10-18)23(17(2)25)14-8-13-22/h3-5,9-10,19H,6-8,11-15H2,1-2H3,(H,21,26)/t19-/m0/s1
InChIKey BEZZZDWDWZBDTH-IBGZPJMESA-N
Molecular Weight 359.470 g/mol
SMILES N1CCCCN(CCCN([C@@](CC1=O)(c1ccccc1)[H])C(=O)C)C(=O)C
SPLASH splash10-0a4i-0519000000-ab738199340510525da4
Source of Spectrum F-33-650-0
Synonyms (4S)-5,9-diacetyl-4-phenyl-1,5,9-triazacyclotridecan-2-one 6,10-Diacetyl-11-phenyl-13-oxo-1,6,10-triazacyclotridecane 6,10-Diacetyl-2,3-dihydrodecinnamylperiphylline
Wiley ID 1347801