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2H-Chromene-3-carboxylic acid, 8-methoxy-2-oxo-, [2-(adamantan-1-yloxy)ethyl]amide
SpectraBase Compound ID HXGOE1FPyxb
InChI InChI=1S/C23H27NO5/c1-27-19-4-2-3-17-10-18(22(26)29-20(17)19)21(25)24-5-6-28-23-11-14-7-15(12-23)9-16(8-14)13-23/h2-4,10,14-16H,5-9,11-13H2,1H3,(H,24,25)
InChIKey LOVLJGXWUFCCFY-UHFFFAOYSA-N
Mol Weight 397.47 g/mol
Molecular Formula C23H27NO5
Exact Mass 397.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJe1EfPQRlB
Name 2H-Chromene-3-carboxylic acid, 8-methoxy-2-oxo-, [2-(adamantan-1-yloxy)ethyl]amide
Comments Computed using HOSE algorithm
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Exact Mass 397.188922968 u
Formula C23H27NO5
InChI InChI=1S/C23H27NO5/c1-27-19-4-2-3-17-10-18(22(26)29-20(17)19)21(25)24-5-6-28-23-11-14-7-15(12-23)9-16(8-14)13-23/h2-4,10,14-16H,5-9,11-13H2,1H3,(H,24,25)
InChIKey LOVLJGXWUFCCFY-UHFFFAOYSA-N
Molecular Weight 397.471 g/mol
SMILES C=1(C(OC=2C(C1)=CC=CC2OC)=O)C(=O)NCCOC12CC3CC(C2)CC(C1)C3