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

View entire compound with spectra: 1 NMR

Phthalic acid, 2H-octahydroquinazoline-1-methyl octyl ester
SpectraBase Compound ID 55YDIBMfr2L
InChI InChI=1S/C26H39NO4/c1-2-3-4-5-6-11-19-30-25(28)22-14-7-8-15-23(22)26(29)31-20-21-13-12-18-27-17-10-9-16-24(21)27/h7-8,14-15,21,24H,2-6,9-13,16-20H2,1H3
InChIKey LBNYCQZODMNGKC-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C26H39NO4
Exact Mass 429.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JaYiTDJ9FS
Name Phthalic acid, 2H-octahydroquinazoline-1-methyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 429.287908736 u
Formula C26H39NO4
InChI InChI=1S/C26H39NO4/c1-2-3-4-5-6-11-19-30-25(28)22-14-7-8-15-23(22)26(29)31-20-21-13-12-18-27-17-10-9-16-24(21)27/h7-8,14-15,21,24H,2-6,9-13,16-20H2,1H3
InChIKey LBNYCQZODMNGKC-UHFFFAOYSA-N
Molecular Weight 429.601 g/mol
SMILES C(C1=C(C=CC=C1)C(OCC1C2N(CCC1)CCCC2)=O)(OCCCCCCCC)=O