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

View entire compound with spectra: 1 NMR

Phthalic acid, 2H-octahydroquinazoline-1-methyl propyl ester
SpectraBase Compound ID JaHVaPhZAHd
InChI InChI=1S/C21H29NO4/c1-2-14-25-20(23)17-9-3-4-10-18(17)21(24)26-15-16-8-7-13-22-12-6-5-11-19(16)22/h3-4,9-10,16,19H,2,5-8,11-15H2,1H3
InChIKey SWHIOEZZAPRFAI-UHFFFAOYSA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7D60IoZMSDe
Name Phthalic acid, 2H-octahydroquinazoline-1-methyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 359.209658414 u
Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-2-14-25-20(23)17-9-3-4-10-18(17)21(24)26-15-16-8-7-13-22-12-6-5-11-19(16)22/h3-4,9-10,16,19H,2,5-8,11-15H2,1H3
InChIKey SWHIOEZZAPRFAI-UHFFFAOYSA-N
Molecular Weight 359.466 g/mol
SMILES C1(=C(C=CC=C1)C(OCC1C2N(CCCC2)CCC1)=O)C(OCCC)=O