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(Z)-3,8-diphenyl-6-[[(1R)-1-phenylethyl]amino]-5-octen-4-one
SpectraBase Compound ID D65XVXy81Ds
InChI InChI=1S/C28H31NO/c1-3-27(25-17-11-6-12-18-25)28(30)21-26(20-19-23-13-7-4-8-14-23)29-22(2)24-15-9-5-10-16-24/h4-18,21-22,27,29H,3,19-20H2,1-2H3/b26-21-/t22-,27?/m1/s1
InChIKey YTBWNMBJBUCJQK-YKLCOQMQSA-N
Mol Weight 397.56 g/mol
Molecular Formula C28H31NO
Exact Mass 397.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdwNDqx9gx5
Name (Z)-3,8-diphenyl-6-[[(1R)-1-phenylethyl]amino]-5-octen-4-one
Alternate Name(s) (Z)-3,8-diphenyl-6-[[(1R)-1-phenylethyl]amino]oct-5-en-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31NO
InChI InChI=1S/C28H31NO/c1-3-27(25-17-11-6-12-18-25)28(30)21-26(20-19-23-13-7-4-8-14-23)29-22(2)24-15-9-5-10-16-24/h4-18,21-22,27,29H,3,19-20H2,1-2H3/b26-21-/t22-,27?/m1/s1
InChIKey YTBWNMBJBUCJQK-YKLCOQMQSA-N
Molecular Weight 397.562 g/mol
SMILES N(\C(=C/C(C(c1ccccc1)CC)=O)CCc1ccccc1)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0adi-0950000000-4d74c2ae4cf20024d892
Source of Spectrum QC-4-1663-4
Wiley ID 883362