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

View entire compound with spectra: 1 NMR

Phthalic acid, 2H-octahydroquinazoline-1-methyl pentyl ester
SpectraBase Compound ID Er6NNZprFdC
InChI InChI=1S/C23H33NO4/c1-2-3-8-16-27-22(25)19-11-4-5-12-20(19)23(26)28-17-18-10-9-15-24-14-7-6-13-21(18)24/h4-5,11-12,18,21H,2-3,6-10,13-17H2,1H3
InChIKey LHQBFMGVWOFLDA-UHFFFAOYSA-N
Mol Weight 387.5 g/mol
Molecular Formula C23H33NO4
Exact Mass 387.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7cnPOowUfUJ
Name Phthalic acid, 2H-octahydroquinazoline-1-methyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 387.240958543 u
Formula C23H33NO4
InChI InChI=1S/C23H33NO4/c1-2-3-8-16-27-22(25)19-11-4-5-12-20(19)23(26)28-17-18-10-9-15-24-14-7-6-13-21(18)24/h4-5,11-12,18,21H,2-3,6-10,13-17H2,1H3
InChIKey LHQBFMGVWOFLDA-UHFFFAOYSA-N
Molecular Weight 387.520 g/mol
SMILES C(C1=C(C=CC=C1)C(OCC1C2N(CCCC2)CCC1)=O)(OCCCCC)=O