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2,5-Cyclohexadien-1-one, 3-hydroxy-6-[(phenylmethyl)amino]-4-[(phenylmethyl)imino]-2-undecyl-
SpectraBase Compound ID 8ClKlIJhF07
InChI InChI=1S/C31H40N2O2/c1-2-3-4-5-6-7-8-9-16-21-27-30(34)28(32-23-25-17-12-10-13-18-25)22-29(31(27)35)33-24-26-19-14-11-15-20-26/h10-15,17-20,22,32,35H,2-9,16,21,23-24H2,1H3/b33-29+
InChIKey IFOOXLHOWVFLBW-XPXRSFDGSA-N
Mol Weight 472.7 g/mol
Molecular Formula C31H40N2O2
Exact Mass 472.308979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6BTDe4fE1s
Name 2,5-Cyclohexadien-1-one, 3-hydroxy-6-[(phenylmethyl)amino]-4-[(phenylmethyl)imino]-2-undecyl-
CAS Registry Number 56005-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40N2O2
InChI InChI=1S/C31H40N2O2/c1-2-3-4-5-6-7-8-9-16-21-27-30(34)28(32-23-25-17-12-10-13-18-25)22-29(31(27)35)33-24-26-19-14-11-15-20-26/h10-15,17-20,22,32,35H,2-9,16,21,23-24H2,1H3/b33-29+
InChIKey IFOOXLHOWVFLBW-XPXRSFDGSA-N
Molecular Weight 472.673 g/mol
SMILES N(C=1C(C(=C(\C(C1)=N\Cc1ccccc1)O)CCCCCCCCCCC)=O)Cc1ccccc1
SPLASH splash10-0089-0039500000-2f4170b22bb01f9285b1
Source of Spectrum W5-0-0-0
Synonyms (4E)-6-(benzylamino)-3-hydroxy-4-{[(E)-phenylmethyl]imino}-2-undecyl-2,5-cyclohexadien-1-one
Wiley ID 1393522