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Dihydrocelacinnine
SpectraBase Compound ID 1CAFo9P9Hf
InChI InChI=1S/C25H33N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-13,23,26H,7-9,14-20H2,(H,27,29)/t23-/m0/s1
InChIKey YRRGQGHSTRJEMY-QHCPKHFHSA-N
Mol Weight 407.6 g/mol
Molecular Formula C25H33N3O2
Exact Mass 407.257277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNGkVVnvYAP
Name Dihydrocelacinnine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33N3O2
InChI InChI=1S/C25H33N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-13,23,26H,7-9,14-20H2,(H,27,29)/t23-/m0/s1
InChIKey YRRGQGHSTRJEMY-QHCPKHFHSA-N
Literature Reference DOI 10.1002/hlca.19810640129
Molecular Weight 407.558 g/mol
SMILES N1CCCN(CCCCN[C@](c2ccccc2)(CC1=O)[H])C(CCc1ccccc1)=O
SPLASH splash10-0597-5910000000-55c89db9024b3680b603
Source of Spectrum H-64-296-7
Synonyms (S)-2-phenyl-9-(3-phenylpropanoyl)-1,5,9-triazacyclotridecan-4-one
Wiley ID 1797550