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2-[(Decylamino)(phenyl)methyl]-3-hydroxynaphthoquinone

View entire compound with spectra: 2 NMR

2-[(Decylamino)(phenyl)methyl]-3-hydroxynaphthoquinone
SpectraBase Compound ID 3mgr7AKaKcc
InChI InChI=1S/C27H33NO3/c1-2-3-4-5-6-7-8-14-19-28-24(20-15-10-9-11-16-20)23-25(29)21-17-12-13-18-22(21)26(30)27(23)31/h9-13,15-18,24,28,31H,2-8,14,19H2,1H3
InChIKey JRMQEQBMAPHMJK-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C27H33NO3
Exact Mass 419.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EU5W6MGG8lv
Name 2-[(Decylamino)(phenyl)methyl]-3-hydroxynaphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 419.246043924 u
Formula C27H33NO3
InChI InChI=1S/C27H33NO3/c1-2-3-4-5-6-7-8-14-19-28-24(20-15-10-9-11-16-20)23-25(29)21-17-12-13-18-22(21)26(30)27(23)31/h9-13,15-18,24,28,31H,2-8,14,19H2,1H3
InChIKey JRMQEQBMAPHMJK-UHFFFAOYSA-N
Molecular Weight 419.565 g/mol
SMILES OC1=C(C(C=2C=CC=CC2)NCCCCCCCCCC)C(C=2C=CC=CC2C1=O)=O