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

View entire compound with spectra: 1 NMR

2-[4-Cyclohexylbutanoylamino]-3-amino-1,4-naphthoquinone
SpectraBase Compound ID 1Cvc7QJTOqW
InChI InChI=1S/C20H24N2O3/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,1-3,6-9,12,21H2,(H,22,23)
InChIKey SDKLWKZIWBPBIZ-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C20H24N2O3
Exact Mass 340.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CT91A6xQJa
Name 2-[4-Cyclohexylbutanoylamino]-3-amino-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.178692638 u
Formula C20H24N2O3
InChI InChI=1S/C20H24N2O3/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,1-3,6-9,12,21H2,(H,22,23)
InChIKey SDKLWKZIWBPBIZ-UHFFFAOYSA-N
Molecular Weight 340.423 g/mol
SMILES C1(C2=C(C=CC=C2)C(C(=C1N)NC(=O)CCCC1CCCCC1)=O)=O