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1-(5'-Methylimidazol-4'-yl)-2-methyl-5-(benzoylimino)-4,6-diaza-8-[biphenylmethyl]octane
SpectraBase Compound ID 3qmlO2cjJA6
InChI InChI=1S/C31H35N5O/c1-23(20-29-24(2)34-22-35-29)21-33-31(36-30(37)27-16-10-5-11-17-27)32-19-18-28(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,22-23,28H,18-21H2,1-2H3,(H,34,35)(H2,32,33,36,37)
InChIKey HFKCKXQPGBMLCA-UHFFFAOYSA-N
Mol Weight 493.7 g/mol
Molecular Formula C31H35N5O
Exact Mass 493.284161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A54Zw8Vvc2l
Name 1-(5'-Methylimidazol-4'-yl)-2-methyl-5-(benzoylimino)-4,6-diaza-8-[biphenylmethyl]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H35N5O
InChI InChI=1S/C31H35N5O/c1-23(20-29-24(2)34-22-35-29)21-33-31(36-30(37)27-16-10-5-11-17-27)32-19-18-28(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,22-23,28H,18-21H2,1-2H3,(H,34,35)(H2,32,33,36,37)
InChIKey HFKCKXQPGBMLCA-UHFFFAOYSA-N
Molecular Weight 493.655 g/mol
SMILES N(\C(=N/C(=O)c1ccccc1)NCCC(c1ccccc1)c1ccccc1)CC(Cc1c([nH]cn1)C)C
SPLASH splash10-0a6s-6900000000-24c7a1c5358cf3b72865
Source of Spectrum D8-325-473-8
Wiley ID 1514435