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

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl 2H-octahydroquinazoline-1-methyl ester
SpectraBase Compound ID 1iyu8Dhi3qE
InChI InChI=1S/C24H35NO4/c1-18(2)9-8-16-28-23(26)20-11-3-4-12-21(20)24(27)29-17-19-10-7-15-25-14-6-5-13-22(19)25/h3-4,11-12,18-19,22H,5-10,13-17H2,1-2H3
InChIKey WFFHRNLVUWFBQI-UHFFFAOYSA-N
Mol Weight 401.5 g/mol
Molecular Formula C24H35NO4
Exact Mass 401.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhBnu84WUdH
Name Phthalic acid, isohexyl 2H-octahydroquinazoline-1-methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.256608607 u
Formula C24H35NO4
InChI InChI=1S/C24H35NO4/c1-18(2)9-8-16-28-23(26)20-11-3-4-12-21(20)24(27)29-17-19-10-7-15-25-14-6-5-13-22(19)25/h3-4,11-12,18-19,22H,5-10,13-17H2,1-2H3
InChIKey WFFHRNLVUWFBQI-UHFFFAOYSA-N
Molecular Weight 401.547 g/mol
SMILES C(C1=C(C=CC=C1)C(OCC1C2N(CCC1)CCCC2)=O)(OCCCC(C)C)=O