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(3R*,5S*)-3-Methyl-5-(phenylazo)octanal
SpectraBase Compound ID FPdJicMv0V3
InChI InChI=1S/C15H22N2O/c1-3-7-15(12-13(2)10-11-18)17-16-14-8-5-4-6-9-14/h4-6,8-9,11,13,15H,3,7,10,12H2,1-2H3/b17-16+/t13-,15-/m0/s1
InChIKey NVZAPAKLZQHYGS-FPXYOBAVSA-N
Mol Weight 246.35 g/mol
Molecular Formula C15H22N2O
Exact Mass 246.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iVd8KT8O2B
Name (3R*,5S*)-3-Methyl-5-(phenylazo)octanal
Alternate Name(s) (3R,5S)-3-methyl-5-[(E)-phenyldiazenyl]octanal (3S*,5R*)-3-Methyl-5-(phenylazo)octanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22N2O
InChI InChI=1S/C15H22N2O/c1-3-7-15(12-13(2)10-11-18)17-16-14-8-5-4-6-9-14/h4-6,8-9,11,13,15H,3,7,10,12H2,1-2H3/b17-16+/t13-,15-/m0/s1
InChIKey NVZAPAKLZQHYGS-FPXYOBAVSA-N
Molecular Weight 246.354 g/mol
SMILES [C@](\N=N\c1ccccc1)(C[C@](CC=O)(C)[H])(CCC)[H]
SPLASH splash10-0005-9360000000-1acb1f8bde767c84f815
Source of Spectrum F-56-2983-18
Wiley ID 856755