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Phthalic acid, ethyl 2H-octahydroquinazoline-1-methyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, ethyl 2H-octahydroquinazoline-1-methyl ester
SpectraBase Compound ID ERlWmDTnE6O
InChI InChI=1S/C20H27NO4/c1-2-24-19(22)16-9-3-4-10-17(16)20(23)25-14-15-8-7-13-21-12-6-5-11-18(15)21/h3-4,9-10,15,18H,2,5-8,11-14H2,1H3
InChIKey XAMXBPHJMUBUAI-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7u50uBsZ1D7
Name Phthalic acid, ethyl 2H-octahydroquinazoline-1-methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.194008349 u
Formula C20H27NO4
InChI InChI=1S/C20H27NO4/c1-2-24-19(22)16-9-3-4-10-17(16)20(23)25-14-15-8-7-13-21-12-6-5-11-18(15)21/h3-4,9-10,15,18H,2,5-8,11-14H2,1H3
InChIKey XAMXBPHJMUBUAI-UHFFFAOYSA-N
Molecular Weight 345.439 g/mol
SMILES C(C1=C(C=CC=C1)C(OCC1C2N(CCCC2)CCC1)=O)(OCC)=O