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(1S,2S)-2-((1,3-dioxoisoindolin-2-yl)amino)-1-(phenylethynyl)cyclohexanecarbaldehyde
SpectraBase Compound ID 5kfRv6906Vi
InChI InChI=1S/C23H20N2O3/c26-16-23(15-13-17-8-2-1-3-9-17)14-7-6-12-20(23)24-25-21(27)18-10-4-5-11-19(18)22(25)28/h1-5,8-11,16,20,24H,6-7,12,14H2/t20-,23+/m0/s1
InChIKey AYJZJQAJHYYXEI-NZQKXSOJSA-N
Mol Weight 372.42 g/mol
Molecular Formula C23H20N2O3
Exact Mass 372.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7caR0Cghb7R
Name (1S,2S)-2-((1,3-dioxoisoindolin-2-yl)amino)-1-(phenylethynyl)cyclohexanecarbaldehyde
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Formula C23H20N2O3
InChI InChI=1S/C23H20N2O3/c26-16-23(15-13-17-8-2-1-3-9-17)14-7-6-12-20(23)24-25-21(27)18-10-4-5-11-19(18)22(25)28/h1-5,8-11,16,20,24H,6-7,12,14H2/t20-,23+/m0/s1
InChIKey AYJZJQAJHYYXEI-NZQKXSOJSA-N
Literature Reference DOI 10.1021/ol802005n
Molecular Weight 372.424 g/mol
SMILES N(N1C(=O)c2c(cccc2)C1=O)[C@]1(CCCC[C@@]1(C#Cc1ccccc1)C=O)[H]
SPLASH splash10-0fai-3902000000-0848217931e9ac364a1b
Source of Spectrum A1-10-4943/SMS6-3f
Wiley ID 1760004