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(4S)-4-phenyl-9-[(E)-3-phenylacryloyl]-1,5,9-triazacyclotridecan-2-one
SpectraBase Compound ID Hv4e3V6KILM
InChI InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-17-9-19-28(18-8-7-16-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1
InChIKey YCGJAANQHNQGOR-NSFRLNINSA-N
Mol Weight 405.54 g/mol
Molecular Formula C25H31N3O2
Exact Mass 405.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPTXjvlI6eO
Name (4S)-4-phenyl-9-[(E)-3-phenylacryloyl]-1,5,9-triazacyclotridecan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N3O2
InChI InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-17-9-19-28(18-8-7-16-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1
InChIKey YCGJAANQHNQGOR-NSFRLNINSA-N
Molecular Weight 405.542 g/mol
SMILES N1CCCN(CCCCNC(=O)C[C@]1(c1ccccc1)[H])C(\C=C\c1ccccc1)=O
SPLASH splash10-0w9s-0943000000-97a6ff82578b97fd628f
Source of Spectrum F-33-657-0
Synonyms (4S)-4-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-2-one (4S)-9-[(E)-1-oxo-3-phenylprop-2-enyl]-4-phenyl-1,5,9-triazacyclotridecan-2-one
Wiley ID 1371813