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Decanoic acid (6-oxo-6H-benzo[c]chromen-2-yl)-(2-dimethylaminoethyl)amide
SpectraBase Compound ID IDzSyZ1Yk0b
InChI InChI=1S/C27H36N2O3/c1-4-5-6-7-8-9-10-15-26(30)29(19-18-28(2)3)21-16-17-25-24(20-21)22-13-11-12-14-23(22)27(31)32-25/h11-14,16-17,20H,4-10,15,18-19H2,1-3H3
InChIKey RFSFUEOMNXMJGF-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C27H36N2O3
Exact Mass 436.272593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdVZH4uhXkA
Name Decanoic acid (6-oxo-6H-benzo[C]chromen-2-yl)-(2-dimethylaminoethyl)amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.272593024 u
Formula C27H36N2O3
InChI InChI=1S/C27H36N2O3/c1-4-5-6-7-8-9-10-15-26(30)29(19-18-28(2)3)21-16-17-25-24(20-21)22-13-11-12-14-23(22)27(31)32-25/h11-14,16-17,20H,4-10,15,18-19H2,1-3H3
InChIKey RFSFUEOMNXMJGF-UHFFFAOYSA-N
Molecular Weight 436.596 g/mol
SMILES C(CCCCCCCCC)(=O)N(CCN(C)C)C1=CC=2C=3C(C(OC2C=C1)=O)=CC=CC3