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2-[4-Cyclohexylbutanoylamino]-3-chloro-1,4-naphthoquinone

View entire compound with spectra: 1 NMR

2-[4-Cyclohexylbutanoylamino]-3-chloro-1,4-naphthoquinone
SpectraBase Compound ID csh9AhnKCX
InChI InChI=1S/C20H22ClNO3/c21-17-18(20(25)15-11-5-4-10-14(15)19(17)24)22-16(23)12-6-9-13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,6-9,12H2,(H,22,23)
InChIKey RCTHUTXFELSAKE-UHFFFAOYSA-N
Mol Weight 359.85 g/mol
Molecular Formula C20H22ClNO3
Exact Mass 359.128821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9B1jHQBWadK
Name 2-[4-Cyclohexylbutanoylamino]-3-chloro-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 359.128821269 u
Formula C20H22ClNO3
InChI InChI=1S/C20H22ClNO3/c21-17-18(20(25)15-11-5-4-10-14(15)19(17)24)22-16(23)12-6-9-13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,6-9,12H2,(H,22,23)
InChIKey RCTHUTXFELSAKE-UHFFFAOYSA-N
Molecular Weight 359.853 g/mol
SMILES C1(C2=C(C=CC=C2)C(C(=C1Cl)NC(=O)CCCC1CCCCC1)=O)=O