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(3S)-2-acetyl-3-[3-(dibenzylamino)phenyl]valeric acid methyl ester
SpectraBase Compound ID LbtSJUZzEB4
InChI InChI=1S/C28H31NO3/c1-4-26(27(21(2)30)28(31)32-3)24-16-11-17-25(18-24)29(19-22-12-7-5-8-13-22)20-23-14-9-6-10-15-23/h5-18,26-27H,4,19-20H2,1-3H3/t26-,27?/m1/s1
InChIKey QEZNJHGUEGJWRJ-AVJYQCBHSA-N
Mol Weight 429.56 g/mol
Molecular Formula C28H31NO3
Exact Mass 429.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bqi5uXhF7V
Name (3S)-2-acetyl-3-[3-(dibenzylamino)phenyl]valeric acid methyl ester
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Formula C28H31NO3
InChI InChI=1S/C28H31NO3/c1-4-26(27(21(2)30)28(31)32-3)24-16-11-17-25(18-24)29(19-22-12-7-5-8-13-22)20-23-14-9-6-10-15-23/h5-18,26-27H,4,19-20H2,1-3H3/t26-,27?/m1/s1
InChIKey QEZNJHGUEGJWRJ-AVJYQCBHSA-N
Molecular Weight 429.560 g/mol
SMILES C(C(=O)OC)([C@@](c1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1)(CC)[H])C(=O)C
SPLASH splash10-004i-0011900000-a08aa2779f9f7693646b
Source of Spectrum J-64-4984-18
Synonyms (3S)-2-acetyl-3-[3-[bis(phenylmethyl)amino]phenyl]pentanoic acid methyl ester Methyl (3S)-2-acetyl-3-[3-(dibenzylamino)phenyl]pentanoate Methyl (3S)-3-[3-[bis(phenylmethyl)amino]phenyl]-2-ethanoyl-pentanoate
Wiley ID 1530555