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

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 2H-octahydroquinazoline-1-methyl ester
SpectraBase Compound ID 8cBCDKl4AwN
InChI InChI=1S/C25H37NO4/c1-2-3-4-5-10-18-29-24(27)21-13-6-7-14-22(21)25(28)30-19-20-12-11-17-26-16-9-8-15-23(20)26/h6-7,13-14,20,23H,2-5,8-12,15-19H2,1H3
InChIKey FRKHVARKIXQCGK-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C25H37NO4
Exact Mass 415.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58xkLszWx5
Name Phthalic acid, heptyl 2H-octahydroquinazoline-1-methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 415.272258671 u
Formula C25H37NO4
InChI InChI=1S/C25H37NO4/c1-2-3-4-5-10-18-29-24(27)21-13-6-7-14-22(21)25(28)30-19-20-12-11-17-26-16-9-8-15-23(20)26/h6-7,13-14,20,23H,2-5,8-12,15-19H2,1H3
InChIKey FRKHVARKIXQCGK-UHFFFAOYSA-N
Molecular Weight 415.574 g/mol
SMILES C1(=C(C=CC=C1)C(OCC1C2N(CCC1)CCCC2)=O)C(OCCCCCCC)=O