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4-(Cyclohexylamino)-3-(4-formylphenyl)-4-oxobutanoic acid

View entire compound with spectra: 1 MS (GC)

4-(Cyclohexylamino)-3-(4-formylphenyl)-4-oxobutanoic acid
SpectraBase Compound ID 4bbP17pvT2C
InChI InChI=1S/C17H21NO4/c19-11-12-6-8-13(9-7-12)15(10-16(20)21)17(22)18-14-4-2-1-3-5-14/h6-9,11,14-15H,1-5,10H2,(H,18,22)(H,20,21)
InChIKey UKRXRHUWEHSCDB-UHFFFAOYSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdMjw7kwHGG
Name 4-(Cyclohexylamino)-3-(4-formylphenyl)-4-oxobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c19-11-12-6-8-13(9-7-12)15(10-16(20)21)17(22)18-14-4-2-1-3-5-14/h6-9,11,14-15H,1-5,10H2,(H,18,22)(H,20,21)
InChIKey UKRXRHUWEHSCDB-UHFFFAOYSA-N
Molecular Weight 303.358 g/mol
SMILES OC(CC(C(NC1CCCCC1)=O)c1ccc(C=O)cc1)=O
SPLASH splash10-0059-1900000000-1f918b56c01153bcb508
Source of Spectrum CV-0-435-4
Wiley ID 849334